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Substance Name: Isobutyl chloride
RN: 513-36-0
UNII: 95E08D17M7
InChIKey: QTBFPMKWQKYFLR-UHFFFAOYSA-N

Molecular Formula

  • C4-H9-Cl

Molecular Weight

  • 92.5681
 
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Names and Synonyms

Name of Substance

  • Isobutyl chloride

Synonyms

  • 1-Chloro-2-methylpropane
  • EINECS 208-157-9
  • UNII-95E08D17M7

Systematic Names

  • 1-Chloro-2-methylpropane
  • Propane, 1-chloro-2-methyl-

Superlist Names

  • Isobutyl chloride
  • Propane, 1-chloro-2-methyl-

Registry Numbers

CAS Registry Number

  • 513-36-0

FDA UNII

  • 95E08D17M7

System Generated Number

  • 0000513360

Structure Descriptors

InChI

1S/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3

InChIKey

QTBFPMKWQKYFLR-UHFFFAOYSA-N

Smiles

C(CCl)(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.30E+02 deg C   EXP
Boiling Point 68.5 deg C   EXP
log P (octanol-water) 2.490 (none)   EST
Water Solubility 926 mg/L 13 EXP
Vapor Pressure 150 mm Hg 25 EXP
Henry's Law Constant 0.020 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.47E-12 cm3/molecule-sec 25 EST

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