1-(3-Nitrophenyl)-1,3-butanedione

CAS Registry Number®

5435-66-5
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CAS Name

1-(3-Nitrophenyl)-1,3-butanedione

Molecular Formula

C10H9NO4

Molecular Mass

207.18

Cite this Page

1-(3-Nitrophenyl)-1,3-butanedione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=5435-66-5 (retrieved 2024-05-02) (CAS RN: 5435-66-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    114-115 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H9NO4/c1-7(12)5-10(13)8-3-2-4-9(6-8)11(14)15/h2-4,6H,5H2,1H3

InChIKey

InChIKey=LENGHKYAWBMFDH-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 1,3-Butanedione, 1-(3-nitrophenyl)-
  • 1,3-Butanedione, 1-(m-nitrophenyl)-
  • 1-(3-Nitrophenyl)-1,3-butanedione
  • (m-Nitrobenzoyl)acetone
  • NSC 21485

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