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Substance Name: p-Bromophenol
RN: 106-41-2
UNII: LAO4J0183I
InChIKey: GZFGOTFRPZRKDS-UHFFFAOYSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C6-H5-Br-O

Molecular Weight

  • 173.008
 
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Names and Synonyms

Name of Substance

  • 4-Bromophenol
  • p-Bromophenol

Synonyms

  • 4-Bromophenol
  • AI3-14903
  • CCRIS 632
  • EINECS 203-394-4
  • HSDB 7650
  • NSC 4970
  • p-Bromohydroxybenzene
  • p-Bromophenic acid
  • p-Bromophenol
  • UNII-LAO4J0183I

Systematic Names

  • 4-Bromophenol
  • Phenol, 4-bromo-
  • Phenol, p-bromo-

Registry Numbers

CAS Registry Number

  • 106-41-2

FDA UNII

  • LAO4J0183I

System Generated Number

  • 0000106412

Structure Descriptors

InChI

1S/C6H5BrO/c7-5-1-3-6(8)4-2-5/h1-4,8H

InChIKey

GZFGOTFRPZRKDS-UHFFFAOYSA-N

Smiles

c1(ccc(Br)cc1)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 411mg/kg (411mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 44(12), Pg. 19, 1979.
mouse LD50 oral 523mg/kg (523mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 44(12), Pg. 19, 1979.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 66.4 deg C   EXP
Boiling Point 238 deg C   EXP
pKa Dissociation Constant 9.17 (none) 25 EXP
log P (octanol-water) 2.59 (none)   EXP
Water Solubility 1.40E+04 mg/L 25 EXP
Henry's Law Constant 1.51E-07 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 9.69E-12 cm3/molecule-sec 25 EST

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