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Substance Name: Benzonitrile, 3-fluoro-
RN: 403-54-3
InChIKey: JZTPKAROPNTQQV-UHFFFAOYSA-N

Molecular Formula

  • C7-H4-F-N

Molecular Weight

  • 121.114
 
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Names and Synonyms

Synonyms

  • 3-Fluorobenzonitrile
  • EINECS 206-963-5
  • m-Cyanofluorobenzene
  • m-Fluorobenzonitrile
  • NSC 88310

Systematic Names

  • 3-Fluorobenzonitrile
  • Benzonitrile, 3-fluoro-
  • Benzonitrile, m-fluoro- (8CI)

Registry Numbers

CAS Registry Number

  • 403-54-3

System Generated Number

  • 0000403543

Structure Descriptors

InChI

1S/C7H4FN/c8-7-3-1-2-6(4-7)5-9/h1-4H

InChIKey

JZTPKAROPNTQQV-UHFFFAOYSA-N

Smiles

N#Cc1cccc(F)c1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.60E+01 deg C   EXP
Boiling Point 182.5 deg C   EXP
log P (octanol-water) 1.47 (none)   EXP
Water Solubility 3000 mg/L 25 EST
Vapor Pressure 0.696 mm Hg 25 EST
Henry's Law Constant 6.07E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.20E-13 cm3/molecule-sec 25 EST

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