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Substance Name: Bromopentafluorobenzene
RN: 344-04-7
UNII: S88219080S
InChIKey: XEKTVXADUPBFOA-UHFFFAOYSA-N

Molecular Formula

  • C6-Br-F5

Molecular Weight

  • 246.96
 
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Names and Synonyms

Name of Substance

  • Bromopentafluorobenzene

Synonyms

  • Bromopentafluorobenzene
  • Bromoperfluorobenzene
  • EINECS 206-449-0
  • NSC 21630
  • Pentafluorobromobenzene
  • Pentafluorophenyl bromide
  • UNII-S88219080S

Systematic Names

  • Benzene, 1-bromo-2,3,4,5,6-pentafluoro-
  • Benzene, bromopentafluoro-
  • Bromopentafluorobenzene

Registry Numbers

CAS Registry Number

  • 344-04-7

FDA UNII

  • S88219080S

System Generated Number

  • 0000344047

Structure Descriptors

InChI

1S/C6BrF5/c7-1-2(8)4(10)6(12)5(11)3(1)9

InChIKey

XEKTVXADUPBFOA-UHFFFAOYSA-N

Smiles

c1(c(c(c(Br)c(c1F)F)F)F)F

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -3.10E+01 deg C   EXP
Boiling Point 137 deg C   EXP
log P (octanol-water) 3.880 (none)   EST
Water Solubility 11.8 mg/L 25 EST
Henry's Law Constant 4.65E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.25E-13 cm3/molecule-sec 25 EST

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