5-甲基青光胺

5-甲基青光胺 基本信息
CAS号 1197-60-0 分子式 C9H16INO
分子量 281.13400 精确质量  281.02800
PSA  13.14000 LogP  -1.20180

基本信息 展开↓

CAS号:
1197-60-0
3D弹球模型:
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分子式:
C9H16INO
分子量:
281.13400
中文名称:
5-甲基青光胺
英文名称:
trimethyl-[(5-methylfuran-2-yl)methyl]azanium,iodide
中文别名:
5-甲基青光胺;
5-甲呋硫碘
英文别名:
trimethyl-[(5-methylfuran-2-yl)methyl]azanium,iodide;
methylfurmethide;
5-Methylfurfuryltrimethylammonium iodide;
Methylfurmetide;
5 MFT;
5-Methylfurtrethonium iodide;
Preparation 7070;
5-Methylfurmithide;
Methylfurmethide iodide
精确分子量/精确质量:
281.02800
极性分子表面积/PSA:
13.14000
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。
InChI:
InChI=1/C9H16NO.HI/c1-8-5-6-9(11-8)7-10(2,3)4;/h5-6H,7H2,1-4H3;1H/q+1;/p-1

物化性质展开↓

外观与性状:
白色固体
存储条件/存储方法:

密封储存,储存于阴凉、干燥的库房。

稳定性相关:

常温常压下稳定,避免与强氧化剂接触。

其它信息:

1.      性状:固体

2.      密度(g/mL,25):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(ºC2mmHg):未确定

7.      折射率(n20/D):未确定

8.      闪点(ºC):未确定

9.      比旋光度(º):未确定

10.   自燃点或引燃温度(ºC):未确定

11.   蒸气压(mmHg,20ºC):未确定

12.   饱和蒸气压(kPa,25ºC):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↓

海关代码:
2932190090

合成路线查看所有的合成路线

  • 14496-35-6

    N,N-二甲基-5-甲基糠胺

  • +

  • 74-88-4

    甲基碘

  • 1197-60-0

    5-甲基青光胺

  • 14496-35-6

    N,N-二甲基-5-甲基糠胺

  • 1197-60-0

    5-甲基青光胺

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
BR7980000
CHEMICAL NAME :
Ammonium, (5-methylfurfuryl)trimethyl-, iodide
CAS REGISTRY NUMBER :
1197-60-0
LAST UPDATED :
199206
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C9-H16-N-O.I
MOLECULAR WEIGHT :
281.16
WISWESSER LINE NOTATION :
T5OJ B1K1&1&1 E1 &I

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
33 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BJPCAL British Journal of Pharmacology and Chemotherapy. (London, UK) V.1-33, 1946-68. For publisher information, see BJPCBM. Volume(issue)/page/year: 7,130,1952
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3795 ug/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - lacrimation Gastrointestinal - changes in structure or function of salivary glands Kidney, Ureter, Bladder - incontinence
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 37,184,1976
毒理学数据:

1、急性毒性:小鼠经皮下LD5033mg/kg;小鼠经静脉LD503795μg/kg

MSDS 展开↓


Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
  Product identifiers
    Product name        : 5-Methylfurmethide    
    CAS-No.        : 1197-60-0    
  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 [EU-GHS/CLP]
    Skin sensitization (Category 1)
    Reproductive toxicity (Category 1B)
  Classification according to EU Directives 67/548/EEC or 1999/45/EC
    May cause sensitization by inhalation and skin contact. May cause harm to the unborn child.
  Label elements
  Labelling according Regulation (EC) No 1272/2008 [CLP]
    Pictogram
    Signal word        Danger    
    Hazard statement(s)
    H317        May cause an allergic skin reaction.    
    H360        May damage fertility or the unborn child.    
    Precautionary statement(s)
    P201        Obtain special instructions before use.    
    P280        Wear protective gloves.    
    P308 + P313        IF exposed or concerned: Get medical advice/ attention.    
    Supplemental Hazard        none    
    Statements
    Restricted to professional users.
  According to European Directive 67/548/EEC as amended.
    Hazard symbol(s)
    R-phrase(s)
    R42/43        May cause sensitization by inhalation and skin contact.    
    R61        May cause harm to the unborn child.    
    S-phrase(s)
    S36/37        Wear suitable protective clothing and gloves.    
    S22        Do not breathe dust.    
    S53        Avoid exposure - obtain special instructions before use.    
    S45        In case of accident or if you feel unwell, seek medical advice immediately    
    (show the label where possible).
    Restricted to professional users.
  Other hazards - none

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substances
    Formula        : C9H16INO    
    Molecular Weight        : 281,14 g/mol    
    Component        Concentration    
  5-Methylfurmethide
    CAS-No.        1197-60-0        -    

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
    Flush eyes with water as a precaution.
  If swallowed
    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
    To the best of our knowledge, the chemical, physical, and toxicological properties have not been
    thoroughly investigated., Prolonged exposure to iodides may produce iodism in sensitive individuals.
    Symptoms of exposure include: skin rash, running nose, headache and irritation of the mucous membrane.
    For severe cases the skin may show pimples, boils, hives, blisters and black and blue spots. Iodides are
    readily diffused across the placenta. Neonatal deaths from respiratory distress secondary to goiter have
    been reported. Iodides have been known to cause drug-induced fevers, which are usually of short duration.
  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), Hydrogen iodide
  Advice for firefighters
    Wear self contained breathing apparatus for fire fighting if necessary.
  Further information
    no data available

Section 6. ACCIDENTAL RELEASE MEASURES
  Personal precautions, protective equipment and emergency procedures
    Use personal protective equipment. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure
    adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
  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
    Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
    containers for disposal.
  Reference to other sections
    For disposal see section 13.

Section 7. HANDLING AND STORAGE
  Precautions for safe handling
    Avoid exposure - obtain special instructions before use.Avoid contact with skin and eyes. Avoid formation
    of dust and aerosols.
    Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire
    protection.
  Conditions for safe storage, including any incompatibilities
    Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
  Specific end uses
    no data available

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
    Face shield and safety glasses 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.
  Body Protection
    Complete suit protecting against chemicals, 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 particle
    respirator type N100 (US) or type P3 (EN 143) 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).

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Information on basic physical and chemical properties
    a) Appearance        Form: solid    
    b) Odour        no data available    
    c) Odour Threshold        no data available    
    d) pH        no data available    
    e) Melting point/freezing        no data available    
    point
    f) Initial boiling point and no data available
    boiling range
    g) Flash point        no data available    
    h) Evaporation rate        no data available    
    i) Flammability (solid, gas) no data available
    j) Upper/lower        no data available    
    flammability or
    explosive limits
    k) Vapour pressure        no data available    
    l) Vapour density        no data available    
    m) Relative density        no data available    
    n) Water solubility        no data available    
    o) Partition coefficient: n- no data available
    octanol/water
    p) Autoignition        no data available    
    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
    no data available
  Possibility of hazardous reactions
    no data available
  Conditions to avoid
    no data available
  Incompatible materials
    Oxidizing agents
  Hazardous decomposition products
    Other decomposition products - no data available

Section 11. TOXICOLOGICAL INFORMATION
  Information on toxicological effects
  Acute toxicity
    LD50 Subcutaneous - mouse - 33 mg/kg
    LD50 Intravenous - mouse - 3,795 mg/kg
    Remarks: Sense Organs and Special Senses (Nose, Eye, Ear, and Taste):Eye:Lacrimation.
    Gastrointestinal:Changes in structure or function of salivary glands. Kidney, Ureter, Bladder:Incontinence.
  Skin corrosion/irritation
    no data available
  Serious eye damage/eye irritation
    no data available
  Respiratory or skin sensitization
    May cause allergic skin reaction.
  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
    May cause congenital malformation in the fetus.
    Presumed human reproductive toxicant
  Specific target organ toxicity - single exposure
    no data available
  Specific target organ toxicity - repeated exposure
    no data available
  Aspiration hazard
    no data available
  Potential health effects
  Inhalation        May be harmful if inhaled. May cause respiratory tract irritation.    
  Ingestion        May be harmful if swallowed.    
  Skin        May be harmful if absorbed through skin. May cause skin irritation.    
  Eyes        May cause eye irritation.    
  Signs and Symptoms of Exposure
    To the best of our knowledge, the chemical, physical, and toxicological properties have not been
    thoroughly investigated., Prolonged exposure to iodides may produce iodism in sensitive individuals.
    Symptoms of exposure include: skin rash, running nose, headache and irritation of the mucous membrane.
    For severe cases the skin may show pimples, boils, hives, blisters and black and blue spots. Iodides are
    readily diffused across the placenta. Neonatal deaths from respiratory distress secondary to goiter have
    been reported. Iodides have been known to cause drug-induced fevers, which are usually of short duration.
  Additional Information
    RTECS: BR7980000

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
    no data available
  Other adverse effects
    no data available

Section 13. DISPOSAL CONSIDERATIONS
  Waste treatment methods
  Product
    Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed
    professional waste disposal service to dispose of this material. Dissolve or mix the material with a
    combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
  Contaminated packaging
    Dispose of as unused product.

Section 14. TRANSPORT INFORMATION
  UN number
    ADR/RID: -        IMDG: -        IATA: -    
  UN proper shipping name
    ADR/RID: Not dangerous goods
    IMDG: Not dangerous goods
    IATA:        Not dangerous goods    
  Transport hazard class(es)
    ADR/RID: -        IMDG: -        IATA: -    
  Packaging group
    ADR/RID: -        IMDG: -        IATA: -    
  Environmental hazards
    ADR/RID: no        IMDG Marine pollutant: no        IATA: no    
  Special precautions for user
    no data available



SECTION 15 - REGULATORY INFORMATION
N/A


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2932190090

概述:
2932190090 其他结构上有非稠合呋喃环化合物. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:20.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2932190090 other compounds containing an unfused furan ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

分子结构与计算化学数据展开↓

计算化学数据


1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:0

3.氢键受体数量:2

4.可旋转化学键数量:2

5.互变异构体数量:无

6.拓扑分子极性表面积13.1

7.重原子数量:12

8.表面电荷:0

9.复杂度:128

10.同位素原子数量:0

11.确定原子立构中心数量:0

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:2

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