1H-benzimidazol-1-ylacetonitrile

Base Information

• Chemical Name: 1H-benzimidazol-1-ylacetonitrile
• CAS No.: 4414-74-8
• Molecular Formula: C9H7 N3
• Molecular Weight: 157.175
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90406077
• Nikkaji Number: J861.496B
• Wikidata: Q82210946
• Mol file: 4414-74-8.mol

Synonyms:1H-benzimidazol-1-ylacetonitrile;4414-74-8;1H-Benzimidazole-1-acetonitrile;2-(1H-1,3-benzodiazol-1-yl)acetonitrile;2-(benzimidazol-1-yl)acetonitrile;1-benzimidazolylacetonitrile;Benzoimidazol-1-yl-acetonitrile;SCHEMBL1039253;DTXSID90406077;XLOWJKLTSYXFME-UHFFFAOYSA-N;(1H-benzimidazol-1-yl)acetonitrile;MFCD00590873;STK862604;1H-Benzimidazole-1-acetonitrile(9CI);AKOS000167968;LS-09906;BB 0219649;EN300-44211;Z53833306;F1716-0526

Chemical Property of 1H-benzimidazol-1-ylacetonitrile

Chemical Property:

• PSA: 41.61000
• LogP: 1.55988
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 157.063997236
• Heavy Atom Count: 12
• Complexity: 205

Purity/Quality:

NLT 98% ^*data from raw suppliers

1H-Benzimidazol-1-ylacetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=CN2CC#N