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Substance Name: 4-Bromothiophenol
RN: 106-53-6
UNII: P3WUO03X17
InChIKey: FTBCOQFMQSTCQQ-UHFFFAOYSA-N

Molecular Formula

  • C6-H5-Br-S

Molecular Weight

  • 189.076
 
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Names and Synonyms

Name of Substance

  • 4-Bromothiophenol

Synonyms

  • 4-Bromobenzenethiol
  • 4-Bromothiophenol
  • EINECS 203-407-3
  • NSC 32018
  • p-Bromobenzenethiol
  • p-Bromophenyl thiol
  • p-Bromothiophenol
  • UNII-P3WUO03X17

Systematic Names

  • 4-Bromobenzenethiol
  • Benzenethiol, 4-bromo-
  • Benzenethiol, p-bromo- (8CI)

Registry Numbers

CAS Registry Number

  • 106-53-6

FDA UNII

  • P3WUO03X17

System Generated Number

  • 0000106536

Structure Descriptors

InChI

1S/C6H5BrS/c7-5-1-3-6(8)4-2-5/h1-4,8H

InChIKey

FTBCOQFMQSTCQQ-UHFFFAOYSA-N

Smiles

c1(ccc(cc1)S)Br

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 73 deg C   EXP
Boiling Point 230.5 deg C   EXP
log P (octanol-water) 3.580 (none)   EST
Atmospheric OH Rate Constant 3.24E-12 cm3/molecule-sec 25 EST

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