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Substance Name: Phosphonic acid, P-(3-nitrophenyl)-
RN: 5337-19-9
InChIKey: OXWXINKWKITCIH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C6-H6-N-O5-P

Molecular Weight

  • 203.089
 
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Names and Synonyms

Synonyms

  • (3-Nitrophenyl)phosphonic acid
  • (m-Nitrophenyl)phosphonic acid
  • 4-16-00-01084 (Beilstein Handbook Reference)
  • BRN 2727537
  • EINECS 226-261-2
  • m-Nitrobenzenephosphonic acid
  • NSC 419
  • Phosphonic acid, (m-nitrophenyl)-

Systematic Names

  • (3-Nitrophenyl)phosphonic acid
  • Phosphonic acid, (3-nitrophenyl)-
  • Phosphonic acid, (m-nitrophenyl)-
  • Phosphonic acid, P-(3-nitrophenyl)-

Registry Numbers

CAS Registry Number

  • 5337-19-9

System Generated Number

  • 0005337199

Structure Descriptors

InChI

1S/C6H6NO5P/c8-7(9)5-2-1-3-6(4-5)13(10,11)12/h1-4H,(H2,10,11,12)

InChIKey

OXWXINKWKITCIH-UHFFFAOYSA-N

Smiles

O=P(O)(O)c1cccc([N+](=O)[O-])c1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 1gm/kg (1000mg/kg)   Antibiotics and Chemotherapy Vol. 3, Pg. 256, 1953.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.340 (none)   EST
Water Solubility 9.80E+05 mg/L 22 EXP
Atmospheric OH Rate Constant 5.24E-13 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.