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Substance Name: Benzene, 1-bromo-2-methoxy-
RN: 578-57-4
InChIKey: HTDQSWDEWGSAMN-UHFFFAOYSA-N

Molecular Formula

  • C7-H7-Br-O

Molecular Weight

  • 187.035
 
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Names and Synonyms

Synonyms

  • 1-Bromo-2-methoxybenzene
  • 2-Bromo-1-methoxybenzene
  • 2-Bromoanisole
  • 2-Methoxybromobenzene
  • 2-Methoxyphenyl bromide
  • 4-06-00-01037 (Beilstein Handbook Reference)
  • AI3-01057
  • BRN 1859996
  • EINECS 209-425-8
  • NSC 6977
  • o-Anisyl bromide
  • o-Bromoanisole
  • o-Bromophenyl methyl ether
  • o-Methoxybromobenzene
  • o-Methoxyphenyl bromide

Systematic Names

  • 2-Bromoanisole
  • Anisole, o-bromo-
  • Benzene, 1-bromo-2-methoxy-

Registry Numbers

CAS Registry Number

  • 578-57-4

System Generated Number

  • 0000578574

Structure Descriptors

InChI

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

InChIKey

HTDQSWDEWGSAMN-UHFFFAOYSA-N

Smiles

c1(c(cccc1)Br)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1544mg/kg (1544mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 44(12), Pg. 19, 1979.
mouse LD50 oral 2466mg/kg (2466mg/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 2.5 deg C   EXP
Boiling Point 216 deg C   EXP
log P (octanol-water) 2.86 (none)   EXP
Water Solubility 184 mg/L 25 EST
Vapor Pressure 0.288 mm Hg 25 EST
Henry's Law Constant 1.27E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.99E-12 cm3/molecule-sec 25 EST

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