Basic information
- CAS
27099-22-5- Standard SMILES
Cc1ccc2nc(CC#N)[nH]c2c1- InChIKey
PDULDINSGIRDOX-UHFFFAOYSA-N- Molecular formula
- C10H9N3
- Average molar mass
- 171.2 g/mol
- Monoisotopic mass
- 171.0796473
Names & identifiers
- Preferred name
- 6-Methyl-1H-benzimidazole-2-acetonitrile
- IUPAC
- 2-(6-methyl-1H-benzimidazol-2-yl)acetonitrile
- English name
- 1H-Benzimidazole-2-acetonitrile,5-methyl-(9CI)
- Molecular formula
- C10H9N3
- Molecular weight
- 171.2
Names & synonyms
27099-22-52-BENZIMIDAZOLEACETONITRILE, 5-METHYL-DTXSID00181560RefChem:1074051DTXCID401040516-Methyl-1H-benzimidazole-2-acetonitrile2-(Cyanomethyl)-5-methylbenzimidazole(5-methyl-1H-benzimidazol-2-yl)acetonitrile2-(6-methyl-1H-benzimidazol-2-yl)acetonitrileMFCD016583131H-Benzimidazole-2-acetonitrile, 5-methyl-(6-methyl-1H-benzimidazol-2-yl)acetonitrile
Show more names
5-Methyl-1H-benzimidazole-2-acetonitrile1H-Benzimidazole-2-acetonitrile, 6-methyl-
1H-Benzimidazole-2-acetonitrile,5-methyl-(9CI)2-(6-Methyl-1H-benzo[d]imidazol-2-yl)acetonitrile2-(5-methylbenzimidazol-2-yl)ethanenitrile5-Methyl-2-benzimidazoleacetonitrile2-(5-methyl-1H-1,3-benzodiazol-2-yl)acetonitrileSCHEMBL8985172SCHEMBL8985181SCHEMBL31516298
Database identifiers
- CAS
27099-22-5- PubChem CID
- 33702
- DTXSID
DTXSID00181560- Nikkaji
- J41.318F
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- Melting point
- 84 °C · 84 °C
- Boiling point
- 443.1 · 443.1±28.0 °C(Predicted)
- Density
- 1.244 · 1.244±0.06 g/cm3(Predicted)
- pka
- 11.48 · 11.48±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers8 total
韶远科技（上海）有限公司4000665055 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
上海鼓臣生物技术有限公司021-34675735 19147740836 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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