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Substance Name: 1-Propanone, 1-(4-nitrophenyl)-
RN: 3758-70-1
InChIKey: QHTSEJJUUBOESF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H9-N-O3

Molecular Weight

  • 179.174
 
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Names and Synonyms

Synonyms

  • 1-(4-Nitrophenyl)-1-propanone
  • 4-07-00-00686 (Beilstein Handbook Reference)
  • BRN 2211544
  • p-Nitropropiophenone
  • Propiophenone, 4'-nitro-

Systematic Name

  • 1-Propanone, 1-(4-nitrophenyl)-

Registry Numbers

CAS Registry Number

  • 3758-70-1

System Generated Number

  • 0003758701

Structure Descriptors

InChI

1S/C9H9NO3/c1-2-9(11)7-3-5-8(6-4-7)10(12)13/h3-6H,2H2,1H3

InChIKey

QHTSEJJUUBOESF-UHFFFAOYSA-N

Smiles

[N+](c1ccc(cc1)C(=O)CC)([O-])=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 600mg/kg (600mg/kg)   Journal of Medicinal Chemistry. Vol. 17, Pg. 900, 1974.