Chloropropylate

CAS Registry Number®

5836-10-2

CAS Name

Chloropropylate

Molecular Formula

C17H16Cl2O3

Molecular Mass

339.21

Cite this Page

Chloropropylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5836-10-2 (retrieved 2024-11-21) (CAS RN: 5836-10-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    148-150 °C @ Press: 0.5 Torr

  • Melting Point (1)

    73 °C

  • Density (1)

    1.36 g/cm³ @ Temp: 20 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C17H16Cl2O3/c1-11(2)22-16(20)17(21,12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11,21H,1-2H3

InChIKey

InChIKey=AXGUBXVWZBFQGA-UHFFFAOYSA-N

SMILES

C(C(OC(C)C)=O)(O)(C1=CC=C(Cl)C=C1)C2=CC=C(Cl)C=C2

Canonical SMILES

O=C(OC(C)C)C(O)(C1=CC=C(Cl)C=C1)C2=CC=C(Cl)C=C2

Other Names for this Substance

  • Benzeneacetic acid, 4-chloro-α-(4-chlorophenyl)-α-hydroxy-, 1-methylethyl ester
  • Benzilic acid, 4,4′-dichloro-, isopropyl ester
  • ENT 26999
  • Isopropyl 4,4′-dichlorobenzilate
  • Acaralate

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration