2-(4-Chlorobenzyl)-3-oxobutanoic acid ethyl ester

CAS Registry Number®

36600-72-3
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CAS Name

2-(4-Chlorobenzyl)-3-oxobutanoic acid ethyl ester

Molecular Formula

C13H15ClO3

Molecular Mass

254.71

Cite this Page

2-(4-Chlorobenzyl)-3-oxobutanoic acid ethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=36600-72-3 (retrieved 2024-07-02) (CAS RN: 36600-72-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    190-197 °C @ Press: 18 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H15ClO3/c1-3-17-13(16)12(9(2)15)8-10-4-6-11(14)7-5-10/h4-7,12H,3,8H2,1-2H3

InChIKey

InChIKey=HQZNZKQSSZWNEB-UHFFFAOYSA-N

SMILES

C(CC1=CC=C(Cl)C=C1)(C(OCC)=O)C(C)=O

Canonical SMILES

O=C(OCC)C(C(=O)C)CC1=CC=C(Cl)C=C1

Other Names for this Substance

  • Benzenepropanoic acid, α-acetyl-4-chloro-, ethyl ester
  • Ethyl 2-(4-chlorobenzyl)-3-oxobutanoate
  • 2-(4-Chlorobenzyl)-3-oxobutanoic acid ethyl ester
  • 2-(4-Chlorobenzyl)acetoacetic acid ethyl ester
  • 1-(Ethoxycarbonyl)-1-(p-chlorobenzyl)-2-propanone

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