Basic information
- CAS
4414-74-8- Standard SMILES
N#CCn1cnc2ccccc21- InChIKey
XLOWJKLTSYXFME-UHFFFAOYSA-N- Molecular formula
- C9H7N3
- Average molar mass
- 157.17 g/mol
- Monoisotopic mass
- 157.06399724
Names & identifiers
- Preferred name
- 1H-benzimidazol-1-ylacetonitrile
- IUPAC
- 2-(benzimidazol-1-yl)acetonitrile
- English name
- 1H-Benzimidazole-1-acetonitrile(9CI)
- Molecular formula
- C9H7N3
- Molecular weight
- 157.17
Names & synonyms
4414-74-81H-benzimidazol-1-ylacetonitrile1H-Benzimidazole-1-acetonitrile2-(1H-1,3-benzodiazol-1-yl)acetonitrile2-(benzimidazol-1-yl)acetonitrileMFCD005908732-(1H-benzo[d]imidazol-1-yl)acetonitrile1H-Benzimidazole-1-acetonitrile(9CI)(1H-1,3-benzimidazol-1-yl)acetonitrile2-benzimidazolylethanenitrileF1716-05261-benzimidazolylacetonitrile
Show more names
2-(1-benzimidazolyl)acetonitrile2-(benzimidazol-1-yl)ethanenitrile
Benzoimidazol-1-yl-acetonitrileSCHEMBL1039253SCHEMBL27692879SCHEMBL41979648DTXSID90406077XLOWJKLTSYXFME-UHFFFAOYSA-NSMSSF-0532648(1H-benzimidazol-1-yl)acetonitrile
Database identifiers
- CAS
4414-74-8- PubChem CID
- 4736769
- DTXSID
DTXSID90406077- Nikkaji
- J861.496B
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers8 total
成都添福瑞生物科技有限公司18030648795 18030648795 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
河南利恩化工产品有限公司0371-63357898 15378766539 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
河南利恩化工产品有限公司03716091-9097 13383857418 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Related reactions
4 records
Compound notes
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