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Substance Name: 1-Bromo-2-chloro-4-nitrobenzene
RN: 29682-39-1
InChIKey: YKSXEJZFIQAUHJ-UHFFFAOYSA-N

Molecular Formula

  • C6-H3-Br-Cl-N-O2

Molecular Weight

  • 236.452
 
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Names and Synonyms

Synonym

  • EINECS 249-773-8

Systematic Name

  • 1-Bromo-2-chloro-4-nitrobenzene

Registry Numbers

CAS Registry Number

  • 29682-39-1

System Generated Number

  • 0029682391

Structure Descriptors

InChI

1S/C6H3BrClNO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H

InChIKey

YKSXEJZFIQAUHJ-UHFFFAOYSA-N

Smiles

c1(cc(c(Br)cc1)Cl)[N+](=O)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.25 (none)   EXP
Water Solubility 19.2 mg/L 25 EST
Vapor Pressure 1.50E-03 mm Hg 25 EST
Henry's Law Constant 6.28E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.48E-14 cm3/molecule-sec 25 EST

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