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Substance Name: o-Cresol, 4-bromo-
RN: 2362-12-1
InChIKey: IWJGMJHAIUBWKT-UHFFFAOYSA-N

Molecular Formula

  • C7-H7-Br-O

Molecular Weight

  • 187.035
 
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Names and Synonyms

Synonyms

  • 4-06-00-02006 (Beilstein Handbook Reference)
  • 4-Bromo-2-methylphenol
  • 4-Bromo-o-cresol
  • BRN 2041491

Systematic Name

  • o-Cresol, 4-bromo-

Registry Numbers

CAS Registry Number

  • 2362-12-1

System Generated Number

  • 0002362121

Structure Descriptors

InChI

1S/C7H7BrO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3

InChIKey

IWJGMJHAIUBWKT-UHFFFAOYSA-N

Smiles

c1(c(ccc(c1)Br)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 860mg/kg (860mg/kg)   Pharmazie. Vol. 32, Pg. 171, 1977.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 64.7 deg C   EXP
Boiling Point 235 deg C   EXP
log P (octanol-water) 2.950 (none)   EST
Atmospheric OH Rate Constant 1.20E-11 cm3/molecule-sec 25 EST

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