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Substance Name: 1,4-Dibromobutane
RN: 110-52-1
UNII: G49PHR6JFU
InChIKey: ULTHEAFYOOPTTB-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C4-H8-Br2

Molecular Weight

  • 215.915
 
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Names and Synonyms

Name of Substance

  • 1,4-Dibromobutane

Synonyms

  • 1,4-Dibrombutan
  • 1,4-Dibrombutan [German]
  • 1,4-Dibromobutane
  • 4-01-00-00267 (Beilstein Handbook Reference)
  • AI3-14617
  • alpha,omega-Dibromobutane
  • BRN 1071199
  • CCRIS 8917
  • DBB
  • EINECS 203-775-5
  • NSC 71435
  • Tetramethylene dibromide
  • Tetramethylenebromide
  • UNII-G49PHR6JFU

Systematic Names

  • 1,4-Dibromobutane
  • Butane, 1,4-dibromo-

Registry Numbers

CAS Registry Number

  • 110-52-1

FDA UNII

  • G49PHR6JFU

Other Registry Number

  • 625084-39-1

System Generated Number

  • 0000110521

Structure Descriptors

InChI

1S/C4H8Br2/c5-3-1-2-4-6/h1-4H2

InChIKey

ULTHEAFYOOPTTB-UHFFFAOYSA-N

Smiles

C(CCBr)CBr

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 14, Pg. 668, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.65E+01 deg C   EXP
Boiling Point 197 deg C   EXP
log P (octanol-water) 2.990 (none)   EST
Water Solubility 350 mg/L 25 EXP
Henry's Law Constant 2.29E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.70E-12 cm3/molecule-sec 25 EST

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