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Substance Name: 1,3-Dibromopropane
RN: 109-64-8
UNII: YQR3048IX9
InChIKey: VEFLKXRACNJHOV-UHFFFAOYSA-N

Note

  • See also record for dibromopropane.

Classification Code

  • Mutation Data

Molecular Formula

  • C3-H6-Br2

Molecular Weight

  • 201.888
 
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Names and Synonyms

Name of Substance

  • 1,3-Dibromopropane

Synonyms

  • 1,3-Dibromopropane
  • AI3-28592
  • alpha,gamma-Dibromopropane
  • CCRIS 6711
  • EINECS 203-690-3
  • HSDB 7408
  • NSC 62663
  • Trimethylene bromide
  • Trimethylene dibromide
  • UNII-YQR3048IX9

Systematic Names

  • 1,3-Dibromopropane
  • Propane, 1,3-dibromo-

Registry Numbers

CAS Registry Number

  • 109-64-8

FDA UNII

  • YQR3048IX9

Other Registry Number

  • 625084-38-0

System Generated Number

  • 0000109648

Structure Descriptors

InChI

1S/C3H6Br2/c4-2-1-3-5/h1-3H2

InChIKey

VEFLKXRACNJHOV-UHFFFAOYSA-N

Smiles

C(CBr)CBr

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 473mg/kg (473mg/kg)   Journal fuer Praktische Chemie. Vol. 320, Pg. 133, 1978.
rabbit LDLo rectal 1gm/kg (1000mg/kg) BEHAVIORAL: IRRITABILITY

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of Pharmacology and Experimental Therapeutics. Vol. 34, Pg. 223, 1928.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -3.42E+01 deg C   EXP
Boiling Point 167.3 deg C   EXP
log P (octanol-water) 2.37 (none)   EXP
Water Solubility 1700 mg/L 20 EXP
Vapor Pressure 1.36 mm Hg 25 EXP
Henry's Law Constant 8.88E-04 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 8.41E-13 cm3/molecule-sec 25 EST

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