4-Chloro-2H-1-benzopyran-2-one

CAS Registry Number®

17831-88-8
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CAS Name

4-Chloro-2H-1-benzopyran-2-one

Molecular Formula

C9H5ClO2

Molecular Mass

180.59

Cite this Page

4-Chloro-2H-1-benzopyran-2-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=17831-88-8 (retrieved 2024-06-26) (CAS RN: 17831-88-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    ~120 °C (approx) @ Press: 2 Torr

  • Melting Point (2)

    89-91 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H5ClO2/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5H

InChIKey

InChIKey=RKEYJFRSDLEQIE-UHFFFAOYSA-N

SMILES

ClC=1C=2C(OC(=O)C1)=CC=CC2

Canonical SMILES

O=C1OC=2C=CC=CC2C(Cl)=C1

Other Names for this Substance

  • 2H-1-Benzopyran-2-one, 4-chloro-
  • Coumarin, 4-chloro-
  • 4-Chloro-2H-1-benzopyran-2-one
  • 4-Chlorocoumarin
  • NSC 74867