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Substance Name: 3-Chloro-1-butene
RN: 563-52-0
UNII: 58S8R4439O
InChIKey: VZGLVCFVUREVDP-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C4-H7-Cl

Molecular Weight

  • 90.5523
 
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Names and Synonyms

Name of Substance

  • 3-Chloro-1-butene

Synonyms

  • 1-Methylallyl chloride
  • 3-Chloro-1-butene
  • alpha-Methallyl chloride
  • alpha-Methylallyl chloride
  • EINECS 209-252-8
  • gamma-Chloro-alpha-butylene
  • NSC 60192
  • UNII-58S8R4439O

Systematic Names

  • 1-Butene, 3-chloro-
  • 3-Chlorobut-1-ene

Registry Numbers

CAS Registry Number

  • 563-52-0

FDA UNII

  • 58S8R4439O

Other Registry Number

  • 5967-58-8

System Generated Number

  • 0000563520

Structure Descriptors

InChI

1S/C4H7Cl/c1-3-4(2)5/h3-4H,1H2,2H3

InChIKey

VZGLVCFVUREVDP-UHFFFAOYSA-N

Smiles

C([C@@H](C)Cl)=C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 64.5 deg C   EXP
log P (octanol-water) 2.350 (none)   EST
Water Solubility 1220 mg/L 25 EST
Vapor Pressure 153 mm Hg 20 EXP
Henry's Law Constant 0.045 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.08E-11 cm3/molecule-sec 25 EST

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