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Basic information

  • Name:

  • 3-Nitrobenzoic acid

  • CAS No.:

  • 121-92-6

  • Formula:
  • C7H5NO4
  • Synonyms:
  • m-Nitrobenzoic acid;3-nitrobenzoic acid;m-nitrobenzoic acid;M-Nitrobenzoic acid 99%;m-Nitrobenzoicacid;benzoic acid, 3-nitro-;3-Nitro Benzoic Acid;Benzoic acid, m-nitro-;

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Chemistry

The Molecular Structure of 3-Nitrobenzoic acid (CAS NO.121-92-6):

Empirical Formula: C7H5NO4
Molecular Weight: 167.1189 
IUPAC Name: 3-nitrobenzoic acid 
Appearance: light yellow crystals
Nominal Mass: 167 Da
Average Mass: 167.1189 Da
Monoisotopic Mass: 167.021858 Da 
Index of Refraction: 1.615
Molar Refractivity: 39.72 cm3
Molar Volume: 113.8 cm3
Surface Tension: 66.4 dyne/cm
Density: 1.468 g/cm3
Flash Point: 157.5 °C
Enthalpy of Vaporization: 61.67 kJ/mol
Boiling Point: 340.7 °C at 760 mmHg
Vapour Pressure: 3.26E-05 mmHg at 25°C 
Water Solubility: <0.01 g/100 mL at 18 °C 
Stability: Stable. Combustible. Incompatible with strong oxidizing agents
Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Organics;Organic acids;C7;Carbonyl Compounds;Carboxylic Acids
InChI
InChI=1/C7H5NO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10) 
Smiles
c1(cc(ccc1)[N+](=O)[O-])C(O)=O
Synonyms: AI3-09015 ; BRN 0908644 ; Benzoic acid, 3-nitro- ; Benzoic acid, m-nitro- ; CCRIS 2335 ; EINECS 204-508-5 ; HSDB 6028 ; Metanitrobenzoic acid ; m-Nitrobenzenecarboxylic acid ; m-Nitrobenzoic acid ; meta-Nitrobenzoic acid ; Benzoic acid, 3-nitro- ; Benzoic acid, m-nitro-   

Uses

 3-Nitrobenzoic acid (CAS NO.121-92-6) is mainly used as intermediate for photo-sensitive mateirals and pharmaceuticals. 

Toxicity Data With Reference

1.    

mmo-sat 100 µg/plate

     ENMUDM    Environmental Mutagenesis. 9 (Suppl 9)(1987),1.
2.    

dnr-bcs 500 µg/disc

     MUREAV    Mutation Research. 170 (1986),11.
3.    

ipr-rat LD50:670 mg/kg

     CRSBAW    Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. 160 (1966),1097.
4.    

ivn-rat LD50:680 mg/kg

     CRSBAW    Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. 160 (1966),1097.
5.    

par-rat LD50:1820 mg/kg

     CRSBAW    Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. 160 (1966),1097.
6.    

ipr-mus LD50:610 mg/kg

     CRSBAW    Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. 160 (1966),1097.
7.    

ivn-mus LD50:640 mg/kg

     CRSBAW    Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. 160 (1966),1097.
8.    

par-mus LD50:1290 mg/kg

     CRSBAW    Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. 160 (1966),1097.

Consensus Reports

Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

Safety Profile

Moderately toxic by intraperitoneal, intravenous and parenteral routes. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also NITRO COMPOUNDS of AROMATIC HYDROCARBONS.
Hazard Codes : IrritantXiHarmfulXn
Risk Statements  :
R22: Harmful if swallowed 
R36/37: Irritating to eyes and respiratory system
R33: Danger of cumulative effects
Safety Statements  :
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S24/25: Avoid contact with skin and eyes

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