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Substance Name: 2,4,6-Tribromoresorcinol
RN: 2437-49-2
UNII: 86OZJ65140
InChIKey: YADZSMVDNYXOOB-UHFFFAOYSA-N

Molecular Formula

  • C6-H3-Br3-O2

Molecular Weight

  • 346.8
 
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Names and Synonyms

Name of Substance

  • 2,4,6-Tribromoresorcinol

Synonyms

  • 2,4,6-Tribromoresorcinol
  • 4-06-00-05688 (Beilstein Handbook Reference)
  • BRN 1955462
  • EINECS 219-442-2
  • NSC 10857
  • UNII-86OZJ65140

Systematic Names

  • 1,3-Benzenediol, 2,4,6-tribromo- (9CI)
  • 2,4,6-Tribromoresorcinol
  • Resorcinol, 2,4,6-tribromo-

Registry Numbers

CAS Registry Number

  • 2437-49-2

FDA UNII

  • 86OZJ65140

System Generated Number

  • 0002437492

Structure Descriptors

InChI

1S/C6H3Br3O2/c7-2-1-3(8)6(11)4(9)5(2)10/h1,10-11H

InChIKey

YADZSMVDNYXOOB-UHFFFAOYSA-N

Smiles

c1(c(c(cc(c1O)Br)Br)O)Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 395mg/kg (395mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 22, Pg. 221, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 114-116 deg C   EXP
log P (octanol-water) 4.37 (none)   EXP
Water Solubility 4.560 mg/L 25 EST
Vapor Pressure 8.49E-07 mm Hg 25 EST
Henry's Law Constant 3.69E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.11E-13 cm3/molecule-sec 25 EST

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