涕灭威亚砜

涕灭威亚砜 基本信息
CAS号 1646-87-3 分子式 C7H14N2O3S
分子量 206.26300 精确质量  206.07300
PSA  86.97000 LogP  1.74190

基本信息 展开↓

CAS号:
1646-87-3
3D弹球模型:
立即前往扯扯看
分子式:
C7H14N2O3S
分子量:
206.26300
中文名称:
涕灭威亚砜
英文名称:
Aldicarb sulfoxide
中文别名:
涕灭威亚砜;
涕灭威-亚砜
英文别名:
Aldicarb sulfoxide;
[(E)-(2-methyl-2-methylsulfinylpropylidene)amino] N-methylcarbamate
精确分子量/精确质量:
206.07300
极性分子表面积/PSA:
86.97000
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:
MFCD00143566
PubChem:
24862849
BRN:
2212914
InChI:
The Key: BXPMAGSOWXBZHS-UHFFFAOYSA-N

物化性质展开↓

密度:
1.21g/cm3
折射率:
1.522

安全信息展开↓

风险类别:
6.1(a)
海关代码:
2930909090
危险类别码:
R28
安全说明:
S22
安全标志:
S22:不要吸入粉尘。
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)。
S24/25:防止皮肤和眼睛接触。
危险标志:
T+: Very toxic;

合成路线查看所有的合成路线

  • 116-06-3

    涕灭威

  • 1646-87-3

    涕灭威亚砜

化学图谱

  1. 涕灭威亚砜质谱(MS)

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UE2075000
CHEMICAL NAME :
Propionaldehyde, 2-methyl-2-(methylsulfinyl)-, O-(methylcarbamoyl)oxime
CAS REGISTRY NUMBER :
1646-87-3
LAST UPDATED :
199710
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C7-H14-N2-O3-S
MOLECULAR WEIGHT :
206.29

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
54 ug/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - fasciculations Gastrointestinal - hypermotility, diarrhea Gastrointestinal - nausea or vomiting
REFERENCE :
JAMAAP JAMA, Journal of the American Medical Association. (AMA, 535 N. Dearborn St., Chicago, IL 60610) V.1- 1883- Volume(issue)/page/year: 256,3218,1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
490 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TSCAT* Office of Toxic Substances Report. (U.S. Environmental Protection Agency, Office of Toxic Substances, 401 M St., SW, Washington, DC 20460) Volume(issue)/page/year: FYI-OTS-0885-0443
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
470 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TSCAT* Office of Toxic Substances Report. (U.S. Environmental Protection Agency, Office of Toxic Substances, 401 M St., SW, Washington, DC 20460) Volume(issue)/page/year: FYI-OTS-0885-0443
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
370 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TSCAT* Office of Toxic Substances Report. (U.S. Environmental Protection Agency, Office of Toxic Substances, 401 M St., SW, Washington, DC 20460) Volume(issue)/page/year: FYI-OTS-0885-0443

MSDS 展开↓


Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
  Product identifiers
    Product name        : Aldicarb-sulfoxide    
    CAS-No.        : 1646-87-3    
  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]
    Acute toxicity, Oral (Category 2)
    Acute aquatic toxicity (Category 1)
  Classification according to EU Directives 67/548/EEC or 1999/45/EC
    Very toxic if swallowed.
  Label elements
  Labelling according Regulation (EC) No 1272/2008 [CLP]
    Pictogram
    Signal word        Danger    
    Hazard statement(s)
    H300        Fatal if swallowed.    
    H400        Very toxic to aquatic life.    
    Precautionary statement(s)
    P264        Wash hands thoroughly after handling.    
    P273        Avoid release to the environment.    
    P301 + P310        IF SWALLOWED: Immediately call a POISON CENTER or doctor/    
    physician.
    Supplemental Hazard        none    
    Statements
  According to European Directive 67/548/EEC as amended.
    Hazard symbol(s)
    R-phrase(s)
    R28        Very toxic if swallowed.    
    S-phrase(s)
    S22        Do not breathe dust.    
    S24/25        Avoid contact with skin and eyes.    
    S45        In case of accident or if you feel unwell, seek medical advice immediately    
    (show the label where possible).
    Caution - substance not yet tested completely.
  Other hazards
    Lachrymator.

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substances
    Formula        : C7H14N2O3S    
    Molecular Weight        : 206,26 g/mol    
    Component        Concentration    
  Aldicarb-sulfoxide
    CAS-No.        1646-87-3        -    

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. Take victim immediately to hospital. 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., Lachrymation, Convulsions, Unconsciousness, May cause cyanosis., burning
    sensation, Cough, wheezing, laryngitis, Shortness of breath, Headache, Nausea, Vomiting, Cholinesterase
    inhibitors can cause heavy salivation and secretion in the lungs, lachrymation, blurred vision, involuntary
    defecation, diarrhea, tremor, ataxia, sweating, hypothermia, lowered heart rate, and/or a fall in blood
    pressure as a result of their action at cholinergic nerve sites., Weakness, Confusion., Gastrointestinal
    disturbance, Dizziness, Incoordination.
  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), Sulphur oxides
  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
    Wear respiratory protection. 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. Discharge into the
    environment must be avoided.
  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 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.
    Recommended storage temperature: 2 - 8 °C
  Specific end use(s)
    no data available

Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
  Control parameters
  Components with workplace control parameters
  Exposure controls
  Appropriate engineering controls
    Avoid contact with skin, eyes and clothing. Wash hands before breaks and immediately after handling
    the product.
  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) Auto-ignition        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
    Strong oxidizing agents
  Hazardous decomposition products
    Other decomposition products - no data available

Section 11. TOXICOLOGICAL INFORMATION
  Information on toxicological effects
  Acute toxicity
  Skin corrosion/irritation
    no data available
  Serious eye damage/eye irritation
    no data available
  Respiratory or skin sensitization
    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
  Potential health effects
  Inhalation        May be harmful if inhaled. May cause respiratory tract irritation.    
  Ingestion        May be fatal 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., Lachrymation, Convulsions, Unconsciousness, May cause cyanosis., burning
    sensation, Cough, wheezing, laryngitis, Shortness of breath, Headache, Nausea, Vomiting, Cholinesterase
    inhibitors can cause heavy salivation and secretion in the lungs, lachrymation, blurred vision, involuntary
    defecation, diarrhea, tremor, ataxia, sweating, hypothermia, lowered heart rate, and/or a fall in blood
    pressure as a result of their action at cholinergic nerve sites., Weakness, Confusion., Gastrointestinal
    disturbance, Dizziness, Incoordination.
  Additional Information
    RTECS: UE2075000

Section 12. ECOLOGICAL INFORMATION
  Toxicity
    Toxicity to daphnia and EC50 - Daphnia - 0,043 mg/l - 48 h
    other aquatic
    invertebrates
  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
    Very toxic to aquatic life.
    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: 2811        IMDG: 2811        IATA: 2811    
  UN proper shipping name
    ADR/RID: TOXIC SOLID, ORGANIC, N.O.S. (Aldicarb-sulfoxide)
    IMDG: TOXIC SOLID, ORGANIC, N.O.S. (Aldicarb-sulfoxide)
    IATA:        Toxic solid, organic, n.o.s. (Aldicarb-sulfoxide)    
  Transport hazard class(es)
    ADR/RID: 6.1        IMDG: 6.1        IATA: 6.1    
  Packaging group
    ADR/RID: I        IMDG: I        IATA: I    
  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:2930909090

概述:
2930909090. 其他有机硫化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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:51.72

2、   摩尔体积(cm3/mol):169.4

3、   等张比容(90.2K):439.4

4、   表面张力(dyne/cm):45.2

5、   介电常数(F/m):

6、   偶极距(D):

7、   极化率(10-24cm3):20.50

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:5

4.可旋转化学键数量:4

5.互变异构体数量:2

6.拓扑分子极性表面积87

7.重原子数量:13

8.表面电荷:0

9.复杂度:238

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:1

13.确定化学键立构中心数量:1

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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