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Substance Name: Chloropentafluorobenzene
RN: 344-07-0
InChIKey: KGCDGLXSBHJAHZ-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Reproductive Effect

Molecular Formula

  • C6-Cl-F5

Molecular Weight

  • 202.509
 
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Names and Synonyms

Name of Substance

  • Chloropentafluorobenzene

Synonyms

  • CCRIS 2394
  • Chloropentafluorobenzene
  • Chloroperfluorobenzene
  • EINECS 206-450-6
  • NSC 96886
  • Pentafluorochlorobenzene
  • Pentafluorophenyl chloride

Systematic Names

  • Benzene, 1-chloro-2,3,4,5,6-pentafluoro-
  • Benzene, chloropentafluoro-
  • Chloropentafluorobenzene

Registry Numbers

CAS Registry Number

  • 344-07-0

System Generated Number

  • 0000344070

Structure Descriptors

InChI

1S/C6ClF5/c7-1-2(8)4(10)6(12)5(11)3(1)9

InChIKey

KGCDGLXSBHJAHZ-UHFFFAOYSA-N

Smiles

c1(c(c(c(Cl)c(c1F)F)F)F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LC50 inhalation > 4840mg/m3/4H (4840mg/m3)   Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 220, 1992.
rat LD50 oral > 5gm/kg (5000mg/kg)   Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 220, 1992.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 117.9 deg C   EXP
log P (octanol-water) 3.640 (none)   EST
Water Solubility 33.1 mg/L 25 EST
Henry's Law Constant 8.64E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.27E-13 cm3/molecule-sec 25 EST

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