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Substance Name: 2,3-Dibromopropanol
RN: 96-13-9
UNII: C0YBW1OA2I
InChIKey: QWVCIORZLNBIIC-UHFFFAOYSA-N

Note

  • Metabolite of ''Tris''.

Molecular Formula

  • C3-H6-Br2-O

Molecular Weight

  • 217.887
 

Classification Codes

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant
  • Tumor Data

Superlist Classification Code

  • Overall Carcinogenic Evaluation: Group 2B
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Names and Synonyms

Name of Substance

  • 2,3-Dibromopropanol

Synonyms

  • 1,2-Dibromopropan-3-ol
  • 1-Propanol, 2,3-dibromo-
  • 2,3-Dibromo-1-propanol
  • 2,3-Dibromopropanol
  • 2,3-Dibromopropyl alcohol
  • 4-01-00-01446 (Beilstein Handbook Reference)
  • AI3-26304
  • BRN 1719127
  • Brominex 257
  • CCRIS 940
  • DBP (flame retardant)
  • Dibromopropanol
  • EINECS 202-480-9
  • Ethoxylated hydantoin glycol dicocoate
  • HSDB 2879
  • NCI-C55436
  • NSC 6203
  • UNII-C0YBW1OA2I
  • USAF DO-42

Systematic Names

  • 1-Propanol, 2,3-dibromo-
  • 2,3-Dibromopropan-1-ol

Superlist Names

  • 2,3-Dibromo-1-propanol
  • 2,3-Dibromopropan-1-ol

Registry Numbers

CAS Registry Number

  • 96-13-9

FDA UNII

  • C0YBW1OA2I

Other Registry Numbers

  • 116499-75-3
  • 204570-16-1

System Generated Number

  • 0000096139

Structure Descriptors

InChI

InChI=1S/C3H6Br2O/c4-1-3(5)2-6/h3,6H,1-2H2

InChIKey

QWVCIORZLNBIIC-UHFFFAOYSA-N

Smiles

OCC(Br)CBr

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 125mg/kg (125mg/kg)   National Technical Information Service. Vol. AD277-689,
rabbit LD50 skin 316mg/kg (316mg/kg)   National Technical Information Service. Vol. OTS0528372,
rat LC50 inhalation 9920mg/m3/4H (9920mg/m3) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
National Technical Information Service. Vol. OTS0528374,
rat LD50 oral 681mg/kg (681mg/kg)   National Technical Information Service. Vol. OTS0528372,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.960 (none)   EST
Water Solubility 5.20E+04 mg/L 25 EXP
Henry's Law Constant 6.30E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.07E-12 cm3/molecule-sec 25 EST

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