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Substance Name: Quinoline, 3-bromo-
RN: 5332-24-1
InChIKey: ZGIKWINFUGEQEO-UHFFFAOYSA-N

Molecular Formula

  • C9-H6-Br-N

Molecular Weight

  • 208.057
 
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Names and Synonyms

Synonyms

  • 3-Bromoquinoline
  • AI3-16560
  • EINECS 226-237-1
  • NSC 3995

Systematic Names

  • 3-Bromoquinoline
  • Quinoline, 3-bromo-

Registry Numbers

CAS Registry Number

  • 5332-24-1

System Generated Number

  • 0005332241

Structure Descriptors

InChI

1S/C9H6BrN/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-6H

InChIKey

ZGIKWINFUGEQEO-UHFFFAOYSA-N

Smiles

c12c(ncc(c1)Br)cccc2

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 13.3 deg C   EXP
Boiling Point 275 deg C   EXP
pKa Dissociation Constant 2.69 (none) 25 EXP
log P (octanol-water) 3.03 (none)   EXP
Water Solubility 103 mg/L 25 EST
Vapor Pressure 1.47E-03 mm Hg 25 EST
Henry's Law Constant 2.74E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.06E-12 cm3/molecule-sec 25 EST

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