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Substance Name: N-Butyl chloroacetate
RN: 590-02-3
UNII: 14HD7CFO3O
InChIKey: YJRGMUWRPCPLNH-UHFFFAOYSA-N

Molecular Formula

  • C6-H11-Cl-O2

Molecular Weight

  • 150.604
 
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Names and Synonyms

Name of Substance

  • n-Butyl chloroacetate

Synonyms

  • Acetic acid, chloro-, butyl ester
  • AI3-18528
  • Butyl chloroacetate
  • Caswell No. 125J
  • EINECS 209-670-0
  • HSDB 5703
  • n-Butyl chloroacetate
  • n-Butyl-chloroacetate
  • NSC 1212
  • UNII-14HD7CFO3O

Systematic Names

  • Acetic acid, 2-chloro-, butyl ester
  • Acetic acid, chloro-, butyl ester
  • Butyl chloroacetate

Registry Numbers

CAS Registry Number

  • 590-02-3

FDA UNII

  • 14HD7CFO3O

System Generated Number

  • 0000590023

Structure Descriptors

InChI

1S/C6H11ClO2/c1-2-3-4-9-6(8)5-7/h2-5H2,1H3

InChIKey

YJRGMUWRPCPLNH-UHFFFAOYSA-N

Smiles

C(OCCCC)(CCl)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 183 deg C   EXP
log P (octanol-water) 2.100 (none)   EST
Atmospheric OH Rate Constant 3.99E-12 cm3/molecule-sec 25 EST

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