2-Nitro-4-(trifluoromethyl)benzonitrile

2-nitro-4-(trifluoromethyl)benzonitrile

CAS: 778-94-9

Molecular Formula	`C8H3F3N2O2`
Molecular Weight	216.12 g/mol
LogP	1.9
Topological Polar Surface Area	69.6 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	0
Exact Mass	216.01466
Heavy Atoms	15
Complexity	301.0

Chemical Identifiers

CAS Number	778-94-9
SMILES	`C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])C#N`
InChIKey	`BQCWLXXZTCLGSZ-UHFFFAOYSA-N`

📖 Product Overview

2-Nitro-4-(trifluoromethyl)benzonitrile (CAS: 778-94-9) is a chemical compound with molecular formula C8H3F3N2O2 and molecular weight 216.12 g/mol. Its IUPAC systematic name is 2-nitro-4-(trifluoromethyl)benzonitrile. LogP 1.9 Topological Polar Surface Area 69.6 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 6 Rotatable Bonds 0 Exact Mass 216.01466 Heavy Atoms 15 Complexity 301.0 InChI Key: BQCWLXXZTCLGSZ-UHFFFAOYSA-N. SMILES: C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])C#N.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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