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Substance Name: Benzoic acid, (p-phosphono)-
RN: 618-21-3
InChIKey: IEQICHVXWFGDAN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H7-O5-P

Molecular Weight

  • 202.101
 
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Names and Synonyms

Synonyms

  • (4-Carboxyphenyl)phosphonic acid
  • (p-Carboxyphenyl)phosphonic acid
  • (p-Phosphono)benzoic acid
  • 4-16-00-01120 (Beilstein Handbook Reference)
  • BRN 2938528

Systematic Names

  • Benzoic acid, (p-phosphono)-
  • Benzoic acid, 4-phosphono- (9CI)

Registry Numbers

CAS Registry Number

  • 618-21-3

System Generated Number

  • 0000618213

Structure Descriptors

InChI

1S/C7H7O5P/c8-7(9)5-1-3-6(4-2-5)13(10,11)12/h1-4H,(H,8,9)(H2,10,11,12)

InChIKey

IEQICHVXWFGDAN-UHFFFAOYSA-N

Smiles

c1(ccc(C(O)=O)cc1)P(O)(O)=O

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.