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Substance Name: 4-Nitrobenzoic acid
RN: 62-23-7
UNII: G83NWR61OW
InChIKey: OTLNPYWUJOZPPA-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant
  • Tumor Data

Molecular Formula

  • C7-H5-N-O4

Molecular Weight

  • 167.1195
 
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Names and Synonyms

Name of Substance

  • 4-Nitrobenzoic acid

Synonyms

  • 1-Carboxy-4-nitrobenzene
  • 4-Nitrobenzoic acid
  • 4-Nitrodracylic acid
  • AI3-00149
  • CCRIS 1185
  • EC 200-526-2
  • EINECS 200-526-2
  • HSDB 2140
  • Kyselina p-nitrobenzoova
  • Kyselina p-nitrobenzoova [Czech]
  • Nitrodracylic acid
  • NSC 7707
  • p-Nitrobenzenecarboxylic acid
  • p-Nitrobenzoic acid
  • UNII-G83NWR61OW

Systematic Names

  • 4-Nitrobenzoic acid
  • Benzoic acid, 4-nitro-
  • Benzoic acid, p-nitro-
  • p-Nitrobenzoic acid

Superlist Names

  • Benzoic acid, p-nitro-
  • p-Nitrobenzoic acid

Registry Numbers

CAS Registry Number

  • 62-23-7

FDA UNII

  • G83NWR61OW

Other Registry Number

  • 29788-29-2

Related Registry Numbers

  • 35363-49-6 (silver salt)
  • 3847-57-2 (hydrochloride salt)

System Generated Number

  • 0000062237

Structure Descriptors

InChI

1S/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)

InChIKey

OTLNPYWUJOZPPA-UHFFFAOYSA-N

Smiles

c1cc(ccc1C(=O)O)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 880mg/kg (880mg/kg) BEHAVIORAL: AGGRESSION

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 160, Pg. 1097, 1966.
mouse LD50 intravenous 770mg/kg (770mg/kg) BEHAVIORAL: AGGRESSION

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 160, Pg. 1097, 1966.
mouse LD50 parenteral 1470mg/kg (1470mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: AGGRESSION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 160, Pg. 1097, 1966.
rat LD50 intraperitoneal 1210mg/kg (1210mg/kg) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 160, Pg. 1097, 1966.
rat LD50 oral 1960mg/kg (1960mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 160, Pg. 1097, 1966.
rat LD50 parenteral 1960mg/kg (1960mg/kg) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 160, Pg. 1097, 1966.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 242 deg C   EXP
pKa Dissociation Constant 3.44 (none)   EXP
log P (octanol-water) 1.89 (none)   EXP
Water Solubility 200 mg/L 15 EXP
Vapor Pressure 2.53E-06 mm Hg 25 EST
Henry's Law Constant 3.79E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.86E-13 cm3/molecule-sec 25 EST

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