5-Bromophthalide

CAS Registry Number®

64169-34-2

CAS Name

5-Bromophthalide

Molecular Formula

C8H5BrO2

Molecular Mass

213.03

Cite this Page

5-Bromophthalide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=64169-34-2 (retrieved 2024-11-26) (CAS RN: 64169-34-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    165 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H5BrO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3H,4H2

InChIKey

InChIKey=IUSPXLCLQIZFHL-UHFFFAOYSA-N

SMILES

O=C1C=2C(CO1)=CC(Br)=CC2

Canonical SMILES

O=C1OCC2=CC(Br)=CC=C12

Other Names for this Substance

  • 1(3H)-Isobenzofuranone, 5-bromo-
  • 5-Bromo-1(3H)-isobenzofuranone
  • 5-Bromophthalide
  • 5-Bromo-3H-isobenzofuran-1-one
  • 5-Bromoisobenzofuran-1(3H)-one

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