21382-98-9 (对甲硫基苯甲腈,4-(methylsulfanyl)benzonitrile)

CAS号:
21382-98-9
中文名称:
对甲硫基苯甲腈
英文名称:
4-(methylsulfanyl)benzonitrile
安全信息:
分子式:
C8H7NS
分子量:
149.212880373001

对甲硫基苯甲腈(21382-98-9)名称与标识符

名称

中文别名:
对甲硫基苯甲腈;4-(甲基硫代)苯甲腈;4-甲硫基氰苯;4-甲硫基苯甲腈;4-(甲硫基)苯甲腈;
英文别名:
4-(methylthio)benzonitrile;4-Cyanothioanisole~4-(Methylmercapto)benzonitrile;4-Cyanothioanisole;4-methylsulfanylbenzonitrile;4-(Methylsulfanyl)benzonitrile;4-cyanophenyl methyl sulfide;4-methylthiobenzenecarbonitrile;4-NC2C6H4SMe;p-Cyanothioanisole;p-MeS-Ph-CN;p-methylthiobenzonitrile;4-Methylthio benzonitrile;Benzonitrile, 4-(methylthio)-;RPVGEEHGKIFQFO-UHFFFAOYSA-N;p-Methylthio benzonitrile;4-cyano-thioanisole;PubChem10528;4-methylthiobenzonitrile;4-(methylthio) benzonitrile;4-methylsulfanyl-benzonitrile;4-(Methylsulfanyl)benzonitrile #;4-methylsulfanylben;21382-98-9;InChI=1/C8H7NS/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,1H;A815302;1-Cyano-4-(methylthio)benzene; 4-(Methylthio)benzonitrile;4-(Methylthio)benzonitrile, 98%;J-513777;4-methylsulfanylbenzenecarbonitrile;EN300-185376;SY109451;SCHEMBL1145161;MFCD00010381;AKOS008969313;FT-0616818;CS-0008336;DTXSID40343620;WAA38298;J-014024;Z57900348;(2,4,6-TRIMETHYL-PHENOXY)-ACETICACID;DB-045564;STL253599;

标识符

MDL:
MFCD00010381
InChIKey:
RPVGEEHGKIFQFO-UHFFFAOYSA-N
Inchi:
1S/C8H7NS/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,1H3
SMILES:
S(C)C1C=CC(C#N)=CC=1
BRN:
2079565

对甲硫基苯甲腈(21382-98-9)物化性质

实验特性

  • LogP : 2.28018
  • PSA : 49.09000
  • 折射率 : 1.6000 (estimate)
  • 水溶性 : Insoluble in water.
  • 沸点 : 272 °C(lit.)
  • 熔点 : 61-63 °C (lit.)
  • 闪点 : 119.2±22.6 °C
  • 颜色与性状 : 未确定 2. 密度(g/mL,25/4℃)
  • 密度 : 1.1442 (rough estimate)

计算特性

  • 精确分子量 : 149.03000
  • 氢键供体数量 : 0
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 1
  • 同位素质量 : 149.03
  • 重原子数量 : 10
  • 复杂度 : 139
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 2.5
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 49.1

对甲硫基苯甲腈(21382-98-9)安全信息

对甲硫基苯甲腈(21382-98-9)国际标准相关数据

EINECS:
24856902

对甲硫基苯甲腈(21382-98-9)海关数据

海关编码:
2930909090
海关数据:

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

Summary:

2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

对甲硫基苯甲腈(21382-98-9)推荐厂家 更多厂家(24)

公司名称手机号/电话联系人QQ微信询单
上海吉至生化科技有限公司 18117592386
021-57481218
吉至试剂 3007522982
询单
湖北方德新材料有限公司 18086096695邱经理 1462312301
询单
上海源叶生物科技有限公司 15026964105
15026964105
汤思磊 2881489226
询单
上海腾准生物科技有限公司 19821570922
021-34053661
张经理 3003871136
询单
南通众合化工新材料有限公司 18762756250
0513-55074056
胡经理 2369399482
询单
金锦乐(湖南)化学有限公司 金锦乐 1226360695
询单
铼博(上海)生化科技有限公司 13311756052
021-60536361 13311756052 13311756131
张经理 2851717387
询单
上海一基实业有限公司 13311756131
021-60548336 QQ:2355265332 QQ:2851717387
胡经理 2355265332
询单
JACS-郑州杰克斯化工产品有限公司 15981966935
0371-86259281
杰克斯JACS 893596907
询单
湖北云镁科技有限公司 18327059871
027-59206672
方经理 235010015
询单

对甲硫基苯甲腈(21382-98-9)相关文献

对甲硫基苯甲腈(21382-98-9)参考资料

Beilstein:
MFCD00010381
PubChem CID:

对甲硫基苯甲腈(21382-98-9) MSDS

基础信息


Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
  Product identifiers
    Product name        : 4-(Methylthio)benzonitrile    
    CAS-No.        : 21382-98-9    
  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, Inhalation (Category 4)
    Acute toxicity, Dermal (Category 4)
    Acute toxicity, Oral (Category 4)
    Skin irritation (Category 2)
    Eye irritation (Category 2)
    Specific target organ toxicity - single exposure (Category 3)
  Classification according to EU Directives 67/548/EEC or 1999/45/EC
    Harmful by inhalation, in contact with skin and if swallowed. Irritating to eyes, respiratory system and skin.
  Label elements
  Labelling according Regulation (EC) No 1272/2008 [CLP]
    Pictogram
    Signal word        Warning    
    Hazard statement(s)
    H302        Harmful if swallowed.    
    H312        Harmful in contact with skin.    
    H315        Causes skin irritation.    
    H319        Causes serious eye irritation.    
    H332        Harmful if inhaled.    
    H335        May cause respiratory irritation.    
    Precautionary statement(s)
    P261        Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.    
    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)
    R-phrase(s)
    R20/21/22        Harmful by inhalation, in contact with skin and if swallowed.    
    R36/37/38        Irritating to eyes, respiratory system and skin.    
    S-phrase(s)
    S26        In case of contact with eyes, rinse immediately with plenty of water and    
    seek medical advice.
    S36        Wear suitable protective clothing.    
  Other hazards - none

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substances
    Formula        : C8H7NS    
    Molecular Weight        : 149,21 g/mol    
    Component        Concentration    
  4-(Methylthio)benzonitrile
    CAS-No.        21382-98-9        -    

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
    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
    Nausea, Headache, Vomiting, To the best of our knowledge, the chemical, physical, and toxicological
    properties have not been thoroughly investigated.
  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, Hydrogen cyanide (hydrocyanic acid)
  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
    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 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 use(s)
    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
    Safety glasses with side-shields conforming to EN166 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
    For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher
    level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges.
    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        Melting point/range: 61 - 63 °C - lit.    
    point
    f) Initial boiling point and 272 °C - lit.
    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, Strong bases
  Hazardous decomposition products
    Other decomposition products - no data available

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 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
    Inhalation - May cause respiratory irritation.
  Specific target organ toxicity - repeated exposure
    no data available
  Aspiration hazard
    no data available
  Potential health effects
  Inhalation        Harmful if inhaled. Causes respiratory tract irritation.    
  Ingestion        Harmful if swallowed.    
  Skin        Harmful if absorbed through skin. Causes skin irritation.    
  Eyes        Causes serious eye irritation.    
  Signs and Symptoms of Exposure
    Nausea, Headache, Vomiting, To the best of our knowledge, the chemical, physical, and toxicological
    properties have not been thoroughly investigated.
  Additional Information
    RTECS: Not available

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