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Substance Name: 2-(Trifluoromethyl)benzonitrile
RN: 447-60-9
UNII: S2CA842543
InChIKey: SOZGHDCEWOLLHV-UHFFFAOYSA-N

Molecular Formula

  • C8-H4-F3-N

Molecular Weight

  • 171.121
 
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Names and Synonyms

Name of Substance

  • 2-(Trifluoromethyl)benzonitrile

Synonyms

  • EINECS 207-184-3
  • UNII-S2CA842543

Systematic Names

  • alpha,alpha,alpha-Trifluoro-2-toluonitrile
  • Benzonitrile, 2-(trifluoromethyl)-

Registry Numbers

CAS Registry Number

  • 447-60-9

FDA UNII

  • S2CA842543

System Generated Number

  • 0000447609

Structure Descriptors

InChI

1S/C8H4F3N/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-4H

InChIKey

SOZGHDCEWOLLHV-UHFFFAOYSA-N

Smiles

C(c1c(C#N)cccc1)(F)(F)F

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 18 deg C   EXP
Boiling Point 205 deg C   EXP
log P (octanol-water) 2.500 (none)   EST
Atmospheric OH Rate Constant 5.21E-14 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.