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Substance Name: 3-Bromothiophene
RN: 872-31-1
UNII: G818Z74YV0
InChIKey: XCMISAPCWHTVNG-UHFFFAOYSA-N

Molecular Formula

  • C4-H3-Br-S

Molecular Weight

  • 163.038
 
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Names and Synonyms

Name of Substance

  • 3-Bromothiophene

Synonyms

  • 3-Bromothiophene
  • 3-Thienyl bromide
  • beta-Bromothiophene
  • EINECS 212-821-3
  • NSC 96612
  • UNII-G818Z74YV0

Systematic Names

  • 3-Bromothiophene
  • Thiophene, 3-bromo-

Registry Numbers

CAS Registry Number

  • 872-31-1

FDA UNII

  • G818Z74YV0

System Generated Number

  • 0000872311

Structure Descriptors

InChI

1S/C4H3BrS/c5-4-1-2-6-3-4/h1-3H

InChIKey

XCMISAPCWHTVNG-UHFFFAOYSA-N

Smiles

c1(ccsc1)Br

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
Boiling Point 150 deg C   EXP
log P (octanol-water) 2.62 (none)   EXP
Water Solubility 384 mg/L 25 EST
Henry's Law Constant 1.17E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.00E-12 cm3/molecule-sec 25 EST

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