344327-11-3 (4-氰基-7-氮杂吲哚,1H-pyrrolo[2,3-b]pyridine-4-carbonitrile)

CAS号:
344327-11-3
中文名称:
4-氰基-7-氮杂吲哚
英文名称:
1H-pyrrolo[2,3-b]pyridine-4-carbonitrile
安全信息:
分子式:
C8H5N3
分子量:
143.145400762558

4-氰基-7-氮杂吲哚(344327-11-3)名称与标识符

名称

中文别名:
4-氰基-7-氮杂吲哚;7-氮杂吲哚-4-甲腈;7-氮杂吲哚-4-甲腈,7-Azaindole-4-carbonitrile;1H-吡咯并[2,3-b]吡啶-4-甲腈;
英文别名:
4-Cyano-7-azaindole;7-Azaindole-4-carbonitrile;1H-Pyrrolo[2,3-b]pyridine-4-carbonitrile;4-Cyano-1H-pyrrolo[2,3-b]pyridine;1H-Pyrrolo(2,3-b)pyridine-4-carbonitrile;4-Cyano-7-azaindole;7-Azaindole-4-carbonitrile;PubChem16571;KSC220O4T;HAROKQXDLYCEQV-UHFFFAOYSA-N;WT818;BCP21988;STL556306;CC0268;BBL102503;VP11095;PB26349;LS20803;BB 0261868;A822232;SCHEMBL78242;EN300-178581;1H-pyrrolo[2,3-b]pyridin-4-kohlenitrile;Z1198176787;AKOS006283733;SY007619;CS-B0500;A1-04831;J-504766;GS-6558;AM20061746;DTXSID20471011;FT-0647073;A6065;MFCD08272235;344327-11-3;7-Azaindole-4-carbonitrile, 97%;AC-9380;1H-Pyrrolo[2,3-b]pyridine-4-carbonitrile, 4-Cyano-7-azaindole;F2197-0344;

标识符

MDL:
MFCD08272235
InChIKey:
HAROKQXDLYCEQV-UHFFFAOYSA-N
Inchi:
1S/C8H5N3/c9-5-6-1-3-10-8-7(6)2-4-11-8/h1-4H,(H,10,11)
SMILES:
N1C=CC2=C(C#N)C=CN=C12

4-氰基-7-氮杂吲哚(344327-11-3)物化性质

实验特性

  • LogP : 1.43458
  • PSA : 52.47000
  • 折射率 : 1.685
  • 沸点 : No data available
  • 熔点 : 195-197 ºC
  • 闪点 : No data available
  • 颜色与性状 : White to Yellow Solid
  • 密度 : 1.29

计算特性

  • 精确分子量 : 143.04800
  • 氢键供体数量 : 1
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 0
  • 同位素质量 : 143.048347172g/mol
  • 重原子数量 : 11
  • 复杂度 : 193
  • 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) : 1
  • 拓扑分子极性表面积 : 52.5

4-氰基-7-氮杂吲哚(344327-11-3)海关数据

海关编码:
2933990090
海关数据:

中国海关编码:

2933990090

概述:

2933990090. 其他仅含氮杂原子的杂环化合物. 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:20.0%

申报要素:

品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期

Summary:

2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

4-氰基-7-氮杂吲哚(344327-11-3)推荐厂家 更多厂家(51)

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4-氰基-7-氮杂吲哚(344327-11-3)参考资料

Beilstein:
MFCD08272235
PubChem CID:

4-氰基-7-氮杂吲哚(344327-11-3) MSDS

基础信息


Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
    Product name        : 7-Azaindole-4-carbonitrile    

Section 2. HAZARDS IDENTIFICATION
  Classification of the substance or mixture
    According to Regulation (EC) No1272/2008
    Acute toxicity, Oral (Category 4)
    Skin irritation (Category 2)
    Serious eye damage (Category 1)
    Specific target organ toxicity - single exposure (Category 3)
    According to European Directive 67/548/EEC as amended.
    Harmful if swallowed. Irritating to respiratory system and skin. Risk of serious damage to eyes.
  Label elements
    Pictogram
    Signal word        Danger    
    Hazard statement(s)
    H302        Harmful if swallowed.    
    H315        Causes skin irritation.    
    H318        Causes serious eye damage.    
    H335        May cause respiratory irritation.    
    Precautionary statement(s)
    P261        Avoid breathing dust/fume/gas/mist/vapours/spray.    
    P280        Wear protective gloves/eye protection/face protection.    
    P305 + P351 + P338        IF IN EYES: Rinse cautiously with water for several minutes. Remove    
    contact lenses, if present and easy to do. Continue rinsing.
    Hazard symbol(s)
    Xn        Harmful    
    R-phrase(s)
    R22        Harmful if swallowed.    
    R37/38        Irritating to respiratory system and skin.    
    R41        Risk of serious damage to eyes.    
    S-phrase(s)
    S26        In case of contact with eyes, rinse immediately with plenty of water and    
    seek medical advice.
    S39        Wear eye/face protection.    
  Other hazards - none

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
    Synonyms        : 4-Cyano-7-azaindole    
    1H-Pyrrolo[2,3-b]pyridine-4-carbonitrile
    Formula        : C8H5N3    
    Molecular Weight        : 143,15 g/mol    
    CAS-No.        EC-No.        Index-No.        Classification        Concentration    
  4-Cyano-7-azaindole
    344327-11-3        -        -        Acute Tox. 4; Skin Irrit. 2; Eye        -    
    Dam. 1; STOT SE 3; H302,
    H315, H318, H335
    Xn, R22 - R37/38 - R41
    For the full text of the H-Statements mentioned in this Section, see Section 16.

Section 4. 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.

Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing media
    Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
  Special protective equipment for fire-fighters
    Wear self contained breathing apparatus for fire fighting if necessary.

Section 6. ACCIDENTAL RELEASE MEASURES
  Personal precautions
    Use personal protective equipment. Avoid dust formation. Avoid breathing dust. Ensure adequate ventilation.
  Environmental precautions
    Do not let product enter drains.
  Methods and materials for containment and cleaning up
    Pick up and arrange disposal without creating dust. Keep in suitable, closed containers for disposal.

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
    Store in cool place. Keep container tightly closed in a dry and well-ventilated place.

Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
  Personal protective equipment
  Respiratory protection
    Where risk assessment shows air-purifying respirators are appropriate use a dust mask type N95 (US) or
    type P1 (EN 143) respirator. Use respirators and components tested and approved under appropriate
    government standards such as NIOSH (US) or CEN (EU).
  Hand protection
    The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the
    standard EN 374 derived from it.
    Handle with gloves.
  Eye protection
    Safety glasses with side-shields conforming to EN166
  Skin and body protection
    Choose body protection according to the amount and concentration of the dangerous substance at the
    work place.
  Hygiene measures
    Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at
    the end of workday.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Appearance
    Form        solid    
  Safety data
    pH no data available
    Melting point        195 °C    
    Boiling point        no data available    
    Flash point        no data available    
    Ignition temperature no data available
    Lower explosion limit no data available
    Upper explosion limit no data available
    Water solubility        no data available    
    Partition coefficient: log Pow: 1,908
    n-octanol/water

Section 10. STABILITY AND REACTIVITY
  Chemical stability
    Stable under recommended storage conditions.
  Conditions to avoid
    no data available
  Materials to avoid
    Strong oxidizing agents
  Hazardous decomposition products
    Hazardous decomposition products formed under fire conditions. - Carbon oxides, nitrogen oxides (NOx),
    Hydrogen cyanide (hydrocyanic acid)

Section 11. TOXICOLOGICAL INFORMATION
  Acute toxicity
    no data available
  Skin corrosion/irritation
    no data available
  Serious eye damage/eye irritation
    no data available
  Respiratory or skin sensitization
    Prolonged or repeated exposure may cause allergic reactions in certain sensitive individuals.
  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        May be harmful if inhaled. Causes respiratory tract irritation.    
  Ingestion        Harmful if swallowed.    
  Skin        May be harmful if absorbed through skin. Causes skin irritation.    
  Eyes        Causes serious eye irritation.    
  Signs and Symptoms of Exposure
    To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly
    investigated.
  Additional Information
    RTECS: no data 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
  PBT and vPvB assessment
    no data available
  Other adverse effects
    no data available

Section 13. DISPOSAL CONSIDERATIONS
  Product
    Observe all federal, state, and local environmental regulations. 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
  ADR/RID
    Not dangerous goods
  IMDG
    Not dangerous goods
  IATA
    Not dangerous goods



SECTION 15 - REGULATORY INFORMATION
N/A


SECTION 16 - ADDITIONAL INFORMATION
N/A