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Substance Name: Pentafluorobenzenethiol
RN: 771-62-0
UNII: CM7UNQ95TJ
InChIKey: UVAMFBJPMUMURT-UHFFFAOYSA-N

Molecular Formula

  • C6-H-F5-S

Molecular Weight

  • 200.13
 
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Names and Synonyms

Name of Substance

  • Pentafluorobenzenethiol

Synonyms

  • BRN 1876292
  • EINECS 212-236-3
  • NSC 88286
  • Pentafluorobenzenethiol-
  • Pentafluorothiophenol
  • UNII-CM7UNQ95TJ

Systematic Names

  • Benzenethiol, pentafluoro-
  • Pentafluorothiophenol

Registry Numbers

CAS Registry Number

  • 771-62-0

FDA UNII

  • CM7UNQ95TJ

System Generated Number

  • 0000771620

Structure Descriptors

InChI

1S/C6HF5S/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H

InChIKey

UVAMFBJPMUMURT-UHFFFAOYSA-N

Smiles

c1(c(c(c(S)c(c1F)F)F)F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03384,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -2.40E+01 deg C   EXP
Boiling Point 143 deg C   EXP
log P (octanol-water) 3.690 (none)   EST
Atmospheric OH Rate Constant 6.83E-13 cm3/molecule-sec 25 EST

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