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Substance Name: Benzene, 1,2,3,4,5-pentafluoro-6-methyl-
RN: 771-56-2
InChIKey: SXPRVMIZFRCAGC-UHFFFAOYSA-N

Molecular Formula

  • C7-H3-F5

Molecular Weight

  • 182.091
 
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Names and Synonyms

Synonyms

  • 2,3,4,5,6-Pentafluorotoluene
  • EINECS 212-233-7
  • Methyl pentafluorobenzene
  • Methylpentafluorobenzene
  • NSC 88285
  • Pentafluoromethylbenzene

Systematic Names

  • 2,3,4,5,6-Pentafluorotoluene
  • Benzene, 1,2,3,4,5-pentafluoro-6-methyl-
  • Benzene, pentafluoromethyl-
  • Toluene, 2,3,4,5,6-pentafluoro- (8CI)

Registry Numbers

CAS Registry Number

  • 771-56-2

System Generated Number

  • 0000771562

Structure Descriptors

InChI

1S/C7H3F5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h1H3

InChIKey

SXPRVMIZFRCAGC-UHFFFAOYSA-N

Smiles

Fc1c(c(F)c(F)c(F)c1F)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -2.98E+01 deg C   EXP
Boiling Point 117.5 deg C   EXP
log P (octanol-water) 3.540 (none)   EST
Water Solubility 50.8 mg/L 25 EST
Vapor Pressure 39.8 mm Hg 25 EST
Henry's Law Constant 0.013 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.71E-13 cm3/molecule-sec 25 EST

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