4,4,4-Trifluorobutanenitrile structure

4,4,4-Trifluorobutanenitrile

4,4,4-trifluorobutanenitrile

Also Known As: 4,4,4-Trifluorobutyronitrile|4,4,4-Trifluorobutanenitrile|tri-fluorobutyronitrile|Butanenitrile,4,4,4-trifluoro-|4,4,4-trifluoro-butyronitrile|4-Cyano-1,1,1-trifluoropropane|8-bromo-2-chloroquinazoline|Butyronitrile, 4,4,4-trifluoro-|4,4,4-Trifluorobutanenitrile #|4,4,4-Trifluorobutyronitrile 50g|3,3,3-Trifluoroprop-1-yl cyanide|8205AE|690T959|I14-13335|819-539-5

CAS: 690-95-9
Molecular Formula C4H4F3N
Molecular Weight 123.02959 g/mol
LogP 1.4
Topological Polar Surface Area 23.8 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
Rotatable Bonds 1
Exact Mass 123.02959
Monoisotopic Mass 123.02959
Heavy Atoms 8
Complexity 106.0

Chemical Identifiers

CAS Number 690-95-9
SMILES C(CC(F)(F)F)C#N
InChIKey LDONGICLORXRIB-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.

Agrochemicals (3 patents) Heterocyclic Building Blocks (4 patents) Organic Building Blocks (1 patents)

Product Overview

4,4,4-Trifluorobutanenitrile (CAS 690-95-9), with molecular formula C4H4F3N and molecular weight 123.02959 g/mol. IUPAC: 4,4,4-trifluorobutanenitrile.

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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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