Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 4-Bromoanisole
RN: 104-92-7
UNII: U430F901J9
InChIKey: QJPJQTDYNZXKQF-UHFFFAOYSA-N

Molecular Formula

  • C7-H7-Br-O

Molecular Weight

  • 187.035
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 4-Bromoanisole

Synonyms

  • 1-Bromo-4-methoxybenzene
  • 4-Bromoanisole
  • 4-Methoxy-1-bromobenzene
  • 4-Methoxybromobenzene
  • 4-Methoxyphenyl bromide
  • AI3-01295
  • Anisyl bromide
  • EC 203-252-1
  • EINECS 203-252-1
  • NSC 8042
  • p-Anisyl bromide
  • p-Bromanisole
  • p-Bromoanisole
  • p-Bromophenyl methyl ether
  • p-Methoxybromobenzene
  • p-Methoxyphenyl bromide
  • UNII-U430F901J9

Systematic Names

  • 4-Bromoanisole
  • Anisole, p-bromo-
  • Benzene, 1-bromo-4-methoxy-

Registry Numbers

CAS Registry Number

  • 104-92-7

FDA UNII

  • U430F901J9

System Generated Number

  • 0000104927

Structure Descriptors

InChI

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

InChIKey

QJPJQTDYNZXKQF-UHFFFAOYSA-N

Smiles

c1(ccc(Br)cc1)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1186mg/kg (1186mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 44(12), Pg. 19, 1979.
mouse LD50 oral 2200mg/kg (2200mg/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 13.5 deg C   EXP
Boiling Point 215 deg C   EXP
log P (octanol-water) 3.05 (none)   EXP
Water Solubility 126 mg/L 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.