4-Nitrophthalide

CAS Registry Number®

65399-18-0

CAS Name

4-Nitrophthalide

Molecular Formula

C8H5NO4

Molecular Mass

179.13

Cite this Page

4-Nitrophthalide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=65399-18-0 (retrieved 2024-11-23) (CAS RN: 65399-18-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    136 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H5NO4/c10-8-5-2-1-3-7(9(11)12)6(5)4-13-8/h1-3H,4H2

InChIKey

InChIKey=NTPUVQUUAYGRHK-UHFFFAOYSA-N

SMILES

N(=O)(=O)C1=C2C(C(=O)OC2)=CC=C1

Canonical SMILES

O=C1OCC=2C1=CC=CC2N(=O)=O

Other Names for this Substance

  • 1(3H)-Isobenzofuranone, 4-nitro-
  • 4-Nitro-1(3H)-isobenzofuranone
  • 4-Nitrophthalide

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