二乙酰镳草镰刀菌烯醇

二乙酰镳草镰刀菌烯醇 基本信息
CAS号 2270-40-8 分子式 C19H26O7
分子量 366.40600 精确质量  366.16800
PSA  94.59000 LogP  1.12490

基本信息 展开↓

CAS号:
2270-40-8
3D弹球模型:
立即前往扯扯看
分子式:
C19H26O7
分子量:
366.40600
中文名称:
二乙酰镳草镰刀菌烯醇
英文名称:
DIACETOXYSCIRPENOL
中文别名:
二乙酰镳草镰刀菌烯醇;
蛇形菌素
英文别名:
DIACETOXYSCIRPENOL;
Anguidin;
ANGUIDINE;
MM 4462;
Diazetoxyskirpenol;
12-epianguidine;
ang66;
Anguidin,DAS;
4,15-diacetoxyscirpenol
精确分子量/精确质量:
366.16800
极性分子表面积/PSA:
94.59000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD00077621
EINECS:
218-873-3
PubChem:
24893292
BRN:
1354986
InChI:
The Key: AUGQEEXBDZWUJY-LOOMRWIUSA-N

物化性质展开↓

密度:
1.315g/cm3
沸点:
471.204ºC at 760 mmHg
闪点:
2ºC
折射率:
1.561
蒸汽压:
0mmHg at 25°C
存储条件/存储方法:
库房通风低温干燥,与食品原料分开存放
其它信息:

1.      性状:未确定

2.      密度(g/L,20ºC):未确定

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):未确定

5.      沸点(ºC,常压):未确定

6.      沸点(ºC 12mmHg):未确定

7.      折射率nD20):未确定

8.      闪点(ºC2

9.      比旋光度():未确定

10.   自燃点或引燃温度(ºC):未确定

11.   蒸气压(Pa,25ºC):未确定

12.   饱和蒸气压(kPa,20ºC):未确定

13.   燃烧热(KJ/mol):未确定

14.   临界温度(ºC):未确定

15.   临界压力(KPa):未确定

16.   油水(辛醇/水)分配系数的对数值:未确定

17.   爆炸上限(%,V/V):未确定

18.   爆炸下限(%,V/V):未确定

19.   溶解性:未确定

安全信息展开↓

包装等级:
II
风险类别:
6.1(a)
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
26/27/28-36/38-36-20/21/22-11
RTECS号:
YD0112000
安全标志:
S45:出现意外或者感到不适,立刻到医生那里寻求帮助(最好带去产品容器标签)。
S53:避免暴露——使用前先阅读专门的说明。
危险标志:
T+,T,Xn,F

合成路线查看所有的合成路线

  • 97337-72-9

    97337-72-9

  • 2270-40-8

    二乙酰镳草镰刀菌烯醇

  • 106336-19-0

    3α-[(tetrahydropyranyl)oxy]-4β-[(triethylsilyl)oxy]-10β-bromo-9α,15-epoxy-13-nortrichothecan-12-one

  • 2270-40-8

    二乙酰镳草镰刀菌烯醇

  • 77620-41-8

    12-epi-3α-<(tetrahydropyranyl)oxy>-12,13-epoxytrichothec-9-ene-4β,15-diol

  • 2270-40-8

    二乙酰镳草镰刀菌烯醇

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YD0112000
CHEMICAL NAME :
Trichothec-9-ene-3-alpha,4-beta,15-triol, 12,13-epoxy-, 4,15-diacetate
CAS REGISTRY NUMBER :
2270-40-8
LAST UPDATED :
199607
DATA ITEMS CITED :
29
MOLECULAR FORMULA :
C19-H26-O7
MOLECULAR WEIGHT :
366.45

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - guinea pig
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
12 mg/kg/5D
TOXIC EFFECTS :
Behavioral - muscle weakness Gastrointestinal - nausea or vomiting Nutritional and Gross Metabolic - body temperature increase
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
7 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
750 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1300 ug/kg
TOXIC EFFECTS :
Cardiac - pulse rate Lungs, Thorax, or Respiration - cyanosis Skin and Appendages - dermatitis, allergic (after topical exposure)
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
7300 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
11300 ug/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - structural or functional change in trachea or bronchi Gastrointestinal - ulceration or bleeding from small intestine
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
7839 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
7709 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
7762 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
1100 ug/kg
TOXIC EFFECTS :
Cardiac - pulse rate Lungs, Thorax, or Respiration - cyanosis Skin and Appendages - dermatitis, allergic (after topical exposure)
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
1 mg/kg
TOXIC EFFECTS :
Cardiac - pulse rate Lungs, Thorax, or Respiration - cyanosis Skin and Appendages - dermatitis, allergic (after topical exposure)
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - pig
DOSE/DURATION :
300 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
2140 ug/kg
TOXIC EFFECTS :
Gastrointestinal - ulceration or bleeding from stomach
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
1 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Bird - chicken
DOSE/DURATION :
3820 ug/kg
TOXIC EFFECTS :
Behavioral - muscle weakness Gastrointestinal - hypermotility, diarrhea
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
8 mg/kg/8D-I
TOXIC EFFECTS :
Liver - other changes Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other Enzymes Biochemical - Metabolism (Intermediary) - Plasma proteins not involving coagulation
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
15 mg/kg/5W-I
TOXIC EFFECTS :
Blood - pigmented or nucleated red blood cells Blood - changes in other cell count (unspecified) Blood - changes in erythrocyte (RBC) count
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
15120 ug/kg/4W-I
TOXIC EFFECTS :
Blood - normocytic anemia Blood - leukopenia Related to Chronic Data - death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Bird - chicken
DOSE/DURATION :
58800 ug/kg/21D-C
TOXIC EFFECTS :
Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
9 mg/kg
SEX/DURATION :
female 9-11 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
1 mg/kg
SEX/DURATION :
female 9 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
1 mg/kg
SEX/DURATION :
female 9 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - musculoskeletal system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
1500 ug/kg
SEX/DURATION :
female 9 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - body wall
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
3 mg/kg
SEX/DURATION :
female 7 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - Central Nervous System
TYPE OF TEST :
Unscheduled DNA synthesis

MUTATION DATA

TEST SYSTEM :
Rodent - mouse
DOSE/DURATION :
5600 ug/kg
REFERENCE :
PAACA3 Proceedings of the American Association for Cancer Research. (Waverly Press, 428 E. Preston St., Baltimore, MD 21202) V.1- 1954- Volume(issue)/page/year: 19,65,1978

MSDS 展开↓


SECTION 1: Identification of the substance/mixture and of the company/undertaking
  Product identifiers
    Product name        : Diacetoxyscirpenol solution    
    Index-No.        : 608-001-00-3    
    REACH No.        : A registration number is not available for this substance as the substance    
    or its uses are exempted from registration, the annual tonnage does not
    require a registration or the registration is envisaged for a later
    registration deadline.
    CAS-No.        : 2270-40-8    
  Relevant identified uses of the substance or mixture and uses advised against
    Identified uses        : Laboratory chemicals, Manufacture of substances    
  
  

SECTION 2: Hazards identification
  Classification of the substance or mixture
  Classification according to Regulation (EC) No 1272/2008
    Flammable liquids (Category 2), H225
    Acute toxicity, Oral (Category 4), H302
    Acute toxicity, Inhalation (Category 4), H332
    Acute toxicity, Dermal (Category 4), H312
    Eye irritation (Category 2), H319
    For the full text of the H-Statements mentioned in this Section, see Section 16.
  Classification according to EU Directives 67/548/EEC or 1999/45/EC
    F Highly flammable        R11    
    Xn Harmful        R20/21/22    
    Xi Irritant        R36    
    For the full text of the R-phrases mentioned in this Section, see Section 16.
  Label elements
  Labelling according Regulation (EC) No 1272/2008
    Pictogram
    Signal word        Danger    
    Hazard statement(s)
    H225        Highly flammable liquid and vapour.    
    H302        Harmful if swallowed.    
    H312        Harmful in contact with skin.    
    H319        Causes serious eye irritation.    
    H332        Harmful if inhaled.    
    Precautionary statement(s)
    P210        Keep away from heat/sparks/open flames/hot surfaces. - No smoking.    
    P280        Wear protective gloves/ protective clothing.    
    P305 + P351 + P338        IF IN EYES: Rinse cautiously with water for several minutes. Remove    
    contact lenses, if present and easy to do. Continue rinsing.
    Supplemental Hazard        none    
    Statements
  According to European Directive 67/548/EEC as amended.
    Hazard symbol(s)        F Highly flammable    
    Xn Harmful
    R-phrase(s)
    R11        Highly flammable.    
    R20/21/22        Harmful by inhalation, in contact with skin and if swallowed.    
    R36        Irritating to eyes.    
    S-phrase(s)
    S16        Keep away from sources of ignition - No smoking.    
    S36/37        Wear suitable protective clothing and gloves.    
  Other hazards - none

SECTION 3: Composition/information on ingredients
  Mixtures
    Chemical characterization : Natural product
    Synonyms        : 12,13-Epoxytrichothec-9-ene-3,4,15-triol-4,15-diacetatesolution    
    Anguidinsolution
    4β,15-Diacetoxy-3α-hydroxy-12,13 epoxy-trichothec-9-enesolution
    DAS
    Formula        : C19H26O7 C19H26O7    
    Molecular Weight        : 366,41 g/mol    
  Hazardous ingredients according to Regulation (EC) No 1272/2008
    Component        Classification        Concentration    
  Acetonitrile
    CAS-No.        75-05-8        Flam. Liq. 2; Acute Tox. 4; Eye <= 100 %    
    EC-No.        200-835-2        Irrit. 2; H225, H302 + H312 +    
    Index-No.        608-001-00-3        H332, H319    
    Registration number        01-2119471307-38-XXXX    
  Hazardous ingredients according to Directive 1999/45/EC
    Component        Classification        Concentration    
  Acetonitrile
    CAS-No.        75-05-8        F, Xn, R11 - R20/21/22 - R36 <= 100 %    
    EC-No.        200-835-2    
    Index-No.        608-001-00-3    
    Registration number 01-2119471307-38-XXXX
    For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

SECTION 4: First aid measures
  Description of first aid measures
  General advice
    Consult a physician. Show this safety data sheet to the doctor in attendance.
  If inhaled
    If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
  In case of skin contact
    Wash off with soap and plenty of water. Consult a physician.
  In case of eye contact
    Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
  If swallowed
    Do NOT induce vomiting. Never give anything by mouth to an unconscious person. Rinse mouth with
    water. Consult a physician.
  Most important symptoms and effects, both acute and delayed
    The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
    section 11
  Indication of any immediate medical attention and special treatment needed
    no data available

SECTION 5: Firefighting measures
  Extinguishing media
  Suitable extinguishing media
    Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
  Special hazards arising from the substance or mixture
    Carbon oxides, nitrogen oxides (NOx)
  Advice for firefighters
    Wear self contained breathing apparatus for fire fighting if necessary.
  Further information
    Use water spray to cool unopened containers.

SECTION 6: Accidental release measures
  Personal precautions, protective equipment and emergency procedures
    Use personal protective equipment. Avoid breathing vapours, mist or gas. Ensure adequate ventilation.
    Remove all sources of ignition. Evacuate personnel to safe areas. Beware of vapours accumulating to
    form explosive concentrations. Vapours can accumulate in low areas.
    For personal protection see section 8.
  Environmental precautions
    Prevent further leakage or spillage if safe to do so. Do not let product enter drains.
  Methods and materials for containment and cleaning up
    Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and
    place in container for disposal according to local regulations (see section 13).
  Reference to other sections
    For disposal see section 13.

SECTION 7: Handling and storage
  Precautions for safe handling
    Avoid contact with skin and eyes. Avoid inhalation of vapour or mist.
    Keep away from sources of ignition - No smoking.Take measures to prevent the build up of electrostatic
    charge.
    For precautions see section 2.2.
  Conditions for safe storage, including any incompatibilities
    Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are
    opened must be carefully resealed and kept upright to prevent leakage.
    Recommended storage temperature: -20 °C
    Handle and store under inert gas.
  Specific end use(s)
    Apart from the uses mentioned in section 1.2 no other specific uses are stipulated

SECTION 8: Exposure controls/personal protection
  Control parameters
  Components with workplace control parameters
  Exposure controls
  Appropriate engineering controls
    Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
    at the end of workday.
  Personal protective equipment
  Eye/face protection
    Tightly fitting safety goggles. Faceshield (8-inch minimum). Use equipment for eye protection
    tested and approved under appropriate government standards such as NIOSH (US) or EN
    166(EU).
  Skin protection
    Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
    (without touching glove's outer surface) to avoid skin contact with this product. Dispose of
    contaminated gloves after use in accordance with applicable laws and good laboratory practices.
    Wash and dry hands.
    The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
    the standard EN 374 derived from it.
    Full contact
    Material: Fluorinated rubber
    Minimum layer thickness: 0,7 mm
    Break through time: 480 min
    Material tested:Vitoject® (KCL 890 / Z677698, Size M)
    Splash contact
    Material: butyl-rubber
    Minimum layer thickness: 0,3 mm
    Break through time: 480 min
    Material tested:Butoject® (KCL 897 / Z677647, Size M)
    data source: KCL GmbH, D-36124 Eichenzell, phone +49 (0)6659 87300,     test method: EN374
    If used in solution, or mixed with other substances, and under conditions which differ from EN 374,
    contact the supplier of the CE approved gloves. This recommendation is advisory only and must
    be evaluated by an industrial hygienist and safety officer familiar with the specific situation of
    anticipated use by our customers. It should not be construed as offering an approval for any
    specific use scenario.
  Body Protection
    Complete suit protecting against chemicals, Flame retardant antistatic protective clothing, The type
    of protective equipment must be selected according to the concentration and amount of the
    dangerous substance at the specific workplace.
  Respiratory protection
    Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator
    with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup
    to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air
    respirator. Use respirators and components tested and approved under appropriate government
    standards such as NIOSH (US) or CEN (EU).
  Control of environmental exposure
    Prevent further leakage or spillage if safe to do so. Do not let product enter drains.

SECTION 9: Physical and chemical properties
  Information on basic physical and chemical properties
    a) Appearance        Form: liquid    
    b) Odour        no data available    
    c) Odour Threshold        no data available    
    d) pH        no data available    
    e) Melting point/freezing        Melting point/range: -45 °C    
    point
    f) Initial boiling point and 81 - 82 °C at 1.013 hPa
    boiling range
    g) Flash point        2 °C    
    h) Evapouration rate        5,79    
    i) Flammability (solid, gas) no data available
    j) Upper/lower        Upper explosion limit: 16 %(V)    
    flammability or        Lower explosion limit: 4,4 %(V)    
    explosive limits
    k) Vapour pressure        no data available    
    l) Vapour density        no data available    
    m) Relative density        0,782 g/cm3    
    n) Water solubility        no data available    
    o) Partition coefficient: n- log Pow: -0,34
    octanol/water
    p) Auto-ignition        274 °C    
    temperature
    q) Decomposition        no data available    
    temperature
    r) Viscosity        no data available    
    s) Explosive properties        no data available    
    t) Oxidizing properties        no data available    
  Other safety information
    no data available

SECTION 10: Stability and reactivity
  Reactivity
    no data available
  Chemical stability
    Stable under recommended storage conditions.
  Possibility of hazardous reactions
    no data available
  Conditions to avoid
    Heat, flames and sparks. Extremes of temperature and direct sunlight.
  Incompatible materials
    Bases, Oxidizing agents, Alkali metals, Reducing agents, acids
  Hazardous decomposition products
    In the event of fire: see section 5

SECTION 11: Toxicological information
  Information on toxicological effects
  Acute toxicity
    no data available
  Skin corrosion/irritation
    no data available
  Serious eye damage/eye irritation
    no data available
  Respiratory or skin sensitisation
    no data available
  Germ cell mutagenicity
    no data available
  Carcinogenicity
    IARC:        No component of this product present at levels greater than or equal to 0.1% is identified as    
    probable, possible or confirmed human carcinogen by IARC.
  Reproductive toxicity
    no data available
  Specific target organ toxicity - single exposure
    no data available
  Specific target organ toxicity - repeated exposure
    no data available
  Aspiration hazard
    no data available
  Additional Information
    RTECS: Not available
    Treat as cyanide poisoning., Always have on hand a cyanide first-aid kit, together with proper instructions.,
    The onset of symptoms is generally delayed pending conversion to cyanide., Headache, Dizziness, Rash,
    Cyanosis, excitement, depression, Drowsiness

SECTION 12: Ecological information
  Toxicity
    no data available
  Persistence and degradability
    no data available
  Bioaccumulative potential
    no data available
  Mobility in soil
    no data available
  Results of PBT and vPvB assessment
    PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
  Other adverse effects
    no data available

SECTION 13: Disposal considerations
  Waste treatment methods
  Product
    Burn in a chemical incinerator equipped with an afterburner and scrubber but exert extra care in igniting
    as this material is highly flammable. Offer surplus and non-recyclable solutions to a licensed disposal
    company.
  Contaminated packaging
    Dispose of as unused product.

SECTION 14: Transport information
  UN number
    ADR/RID: 1648        IMDG: 1648        IATA: 1648    
  UN proper shipping name
    ADR/RID: ACETONITRILE, SOLUTION
    IMDG: ACETONITRILE, SOLUTION
    IATA:        Acetonitrile, SOLUTION    
  Transport hazard class(es)
    ADR/RID: 3        IMDG: 3        IATA: 3    
  Packaging group
    ADR/RID: II        IMDG: II        IATA: II    
  Environmental hazards
    ADR/RID: no        IMDG Marine pollutant: no        IATA: no    
  Special precautions for user
    no data available

SECTION 15: Regulatory information
    This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
  Safety, health and environmental regulations/legislation specific for the substance or mixture
    no data available
  Chemical Safety Assessment
    For this product a chemical safety assessment was not carried out

SECTION 16: Other information
  Full text of H-Statements referred to under sections 2 and 3.
    Acute Tox.        Acute toxicity    
    Eye Irrit.        Eye irritation    
    Flam. Liq.        Flammable liquids    
    H225        Highly flammable liquid and vapour.    
    H302        Harmful if swallowed.    
    H302 + H312 +        Harmful if swallowed, in contact with skin or if inhaled    
    H332
    H312        Harmful in contact with skin.    
    H319        Causes serious eye irritation.    
    H332        Harmful if inhaled.    
  Full text of R-phrases referred to under sections 2 and 3
    F        Highly flammable    
    Xn        Harmful    
    R11        Highly flammable.    
    R20/21/22        Harmful by inhalation, in contact with skin and if swallowed.    
    R36        Irritating to eyes.    
  Further information
    Copyright 2014 Co. LLC. License granted to make unlimited paper copies for internal use
    only.
    The above information is believed to be correct but does not purport to be all inclusive and shall be
    used only as a guide. The information in this document is based on the present state of our knowledge
    and is applicable to the product with regard to appropriate safety precautions. It does not represent any
    guarantee of the properties of the product. Corporation and its Affiliates shall not be held
    liable for any damage resulting from handling or from contact with the above product. See
     and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

分子结构与计算化学数据展开↓

分子结构数据


1、   摩尔折射率:92.00

2、   摩尔体积m3/mol288.8

3、   等张比容(90.2K):774.2

4、   表面张力dyne/cm51.6

5   极化率10-24cm336.47

计算化学数据


1、   疏水参数计算参考值(XlogP):0.2

2、   氢键供体数量:1

3、   氢键受体数量:7

4、   可旋转化学键数量:5

5、   互变异构体数量:

6、   拓扑分子极性表面积(TPSA):94.6

7、   重原子数量:26

8、   表面电荷:0

9、   复杂度:687

10、同位素原子数量:0

11、确定原子立构中心数量:7

12、不确定原子立构中心数量:0

13、确定化学键立构中心数量:0

14、不确定化学键立构中心数量:0

15、共价键单元数量:1

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