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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 145607Generated: November 4, 2026

2-(1H-benzimidazol-2-yl)-3-(2-nitrophenyl)prop-2-enenitrile

https://huagongshe.com/en/chemical/145607

2-(1H-benzimidazol-2-yl)-3-(2-nitrophenyl)prop-2-enenitrile molecular structure

Identifiers & Physical Properties

CAS No.131263-08-6
Molecular formulaC16H10N4O2
Average molar mass290.28 g/mol
Monoisotopic mass290.08037557 g/mol
SMILESN#CC(=Cc1ccccc1[N+](=O)[O-])c1nc2ccccc2[nH]1
InChIKeyYGLWLRRYYPGJDG-UHFFFAOYSA-N
PubChem CID145607
EC No.121-821-1
DTXSIDDTXSID901186630

Chemical & Physical Properties

XLogP3.1
Topological polar surface area98.3
Hydrogen bond donors1
Hydrogen bond acceptors4
Rotatable bonds2
Heavy atoms22
Formal charge0
Complexity504

Safety & Regulations

GHS classificationWarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and CategoriesAcute Tox. 4 (100%)