4-Fluoro-3-(trifluoromethyl)benzonitrile structure

4-Fluoro-3-(trifluoromethyl)benzonitrile

4-fluoro-3-(trifluoromethyl)benzonitrile

Also Known As: 4-Fluoro-3-(trifluoromethyl)benzonitrile|4-fluoro-3-trifluoromethylbenzonitrile|5-cyano-2-fluorobenzotrifluoride|ACMC-209nzl|4-Fluoro-3- benzonitrile|4-Fluoro-3-trifluoromethyl-benzonitrile|BUTTPARK 45\01-76|WT426|ACN-S003958|4-Fluoro-3-trifluoromethyl benzonitrile|CF-129|CK2148|WT2183|Benzonitrile, 4-fluoro-3-(trifluoromethyl)-|3-Trifluoromethyl-4-fluorobenzonitrile|4-fluoro-3-(trifluoromethyl)-benzonitrile|AC-4095|CS-W015971|PS-8416|3-trifluoromethyl 4-fluoro-benzonitrile|4-fluoro-3-tri-fluoromethylbenzonitrile

CAS: 216159-03-4
Molecular Formula C8H3F4N
Molecular Weight 189.02016 g/mol
LogP 2.6
Topological Polar Surface Area 23.8 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
Rotatable Bonds 0
Exact Mass 189.02016
Monoisotopic Mass 189.02016
Heavy Atoms 13
Complexity 226.0

Chemical Identifiers

CAS Number 216159-03-4
SMILES C1=CC(=C(C=C1C#N)C(F)(F)F)F
InChIKey CQZQCORFYSSCFY-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.

Agrochemicals (3 patents) Heterocyclic Building Blocks (127 patents) Organic Building Blocks (9 patents) Pharmaceutical Intermediates (89 patents)

Product Overview

4-Fluoro-3-(trifluoromethyl)benzonitrile (CAS 216159-03-4), with molecular formula C8H3F4N and molecular weight 189.02016 g/mol. IUPAC: 4-fluoro-3-(trifluoromethyl)benzonitrile.

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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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