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Substance Name: 3-(Trifluoromethyl)benzonitrile
RN: 368-77-4
UNII: Y7ZD7DK3AY
InChIKey: OGOBINRVCUWLGN-UHFFFAOYSA-N

Molecular Formula

  • C8-H4-F3-N

Molecular Weight

  • 171.121
 
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Names and Synonyms

Name of Substance

  • 3-(Trifluoromethyl)benzonitrile

Synonyms

  • 3-(Trifluoromethyl)benzonitrile
  • EINECS 206-711-4
  • UNII-Y7ZD7DK3AY

Systematic Names

  • alpha,alpha,alpha-Trifluoro-m-toluonitrile
  • Benzonitrile, 3-(trifluoromethyl)-

Registry Numbers

CAS Registry Number

  • 368-77-4

FDA UNII

  • Y7ZD7DK3AY

System Generated Number

  • 0000368774

Structure Descriptors

InChI

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

InChIKey

OGOBINRVCUWLGN-UHFFFAOYSA-N

Smiles

C(c1cc(C#N)ccc1)(F)(F)F

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 14.5 deg C   EXP
Boiling Point 189 deg C   EXP
log P (octanol-water) 2.500 (none)   EST
Atmospheric OH Rate Constant 6.92E-14 cm3/molecule-sec 25 EST

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