2-Chloro-1-[4-(2-methylpropyl)phenyl]-1-propanone

CAS Registry Number®

80336-66-9

CAS Name

2-Chloro-1-[4-(2-methylpropyl)phenyl]-1-propanone

Molecular Formula

C13H17ClO

Molecular Mass

224.73

Cite this Page

2-Chloro-1-[4-(2-methylpropyl)phenyl]-1-propanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=80336-66-9 (retrieved 2024-11-21) (CAS RN: 80336-66-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    100-105 °C @ Press: 2 Torr

  • Melting Point (1)

    53.5-54.5 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C13H17ClO/c1-9(2)8-11-4-6-12(7-5-11)13(15)10(3)14/h4-7,9-10H,8H2,1-3H3

InChIKey

InChIKey=GIHSMBINQBEFLD-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 1-Propanone, 2-chloro-1-[4-(2-methylpropyl)phenyl]-
  • 2-Chloro-1-[4-(2-methylpropyl)phenyl]-1-propanone
  • 1-Chloroethyl 4-isobutylphenyl ketone
  • α-Chloro-p-isobutylpropiophenone
  • 2-Chloro-p-isobutylpropiophenone

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Deleted or Replaced CAS Registry Numbers

154428-71-4

CAS INSIGHTSTM
Targeted protein degrader structure, illustration