Basic information
- Name:
p-Nitrobenzoic acid
- CAS No.:
62-23-7
- Molecular Structure:
- Formula:
- C7H5NO4
- Molecular Weight:
- 167.12
- Synonyms:
- Benzoicacid, p-nitro- (8CI);4-Nitrobenzoic acid;Nitrodracylic acid;p-Carboxynitrobenzene;p-Nitrobenzenecarboxylic acid;
- EINECS:
- 200-526-2
- Density:
- 1.468 g/cm3
- Melting Point:
- 237-240 °C(lit.)
- Boiling Point:
- 359.1 °C at 760 mmHg
- Flash Point:
- 166.5 °C
- Solubility:
- <0.1 g/100 mL at 26 °C in water
- Appearance:
- light yellow crystalline powder
- Hazard Symbols:
Xn- Risk Codes:
- 22-41
- Safety Description:
- 26-39-24/25 Details
- particular:
- particular
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Chemistry
Molecular Structure of p-Nitrobenzoic acid (CAS NO.62-23-7):
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IUPAC Name: 4-nitrobenzoic acid
Molecular Formula: C7H5NO4
Molecular Weight :167.12
CAS Registry Number: 62-23-7
EINECS: 200-526-2
H bond acceptors: 5
H bond donors: 1
Freely Rotating Bonds: 2
Polar Surface Area: 72.12 Å2
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: 166.5 °C
Enthalpy of Vaporization: 63.8 kJ/mol
Boiling Point: 359.1 °C at 760 mmHg
Vapour Pressure: 8.78E-06 mmHg at 25°C
Melting point: 237-240 °C(lit.)
Water Solubility: <0.1 g/100 mL at 26 oC
InChI
InChI=1/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)
Smiles
c1(C(O)=O)ccc([N+](=O)[O-])cc1
Stability: Stable. Combustible. Incompatible with strong oxidizing agents, cyanides, strong bases
Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Absolute Configuration Determination (Exciton Chirality CD Method); Analytical Chemistry; Enantiomer Excess & Absolute Configuration Determination; Exciton Chirality CD Method (for Hydroxyl Groups);C7; Carbonyl Compounds; Carboxylic Acids
Uses
p-Nitrobenzoic acid (CAS NO.62-23-7) is widespread used in explosive and dyestuff industries and as a chemical intermediate. p-Nitrobenzoic acid was tested using the p-Nitrobenzoic acid protocol to follow up on preliminary data from a 13-week prechronic study that found testicular atrophy and estrous cycle irregularities in B6C3F1 mice and as a structure-activity study in conjunction with other nitrobenzoic acids. Data from a 2-week dose-range-fnding study (Task 1) were used to set exposure concentrations for the Task 2 continuous cohabitation study at 0.35, 0.75, and 1.50% in feed. Based on mean feed consumption and body weight, the estimated daily dosages were approximately 0.5, 1.1, and 2.4 g/kg/day.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 880mg/kg (880mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: AGGRESSION | 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: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: AGGRESSION | 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: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: AGGRESSION | 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) | 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 | 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. |
Consensus Reports
Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.
Safety Profile
Moderately toxic by ingestion, intravenous, parenteral, and intraperitoneal routes. An eye irritant. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also Nitro compounds of aromatic hydrocarbons.
Hazard Codes: 
Xn
Risk Statements: 22-41
R22:Harmful if swallowed.
R41:Risk of serious damage to the eyes.
Safety Statements: 26-39-24/25
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S39:Wear eye / face protection.
S24/25:Avoid contact with skin and eyes.
WGK Germany: 1
RTECS: DH5075000
HS Code: 29163900
Specification
p-Nitrobenzoic acid , with CAS number of 62-23-7, can be called p-Nitrobenzenecarboxylic acid ; Nitrodracylic acid ; p-Carboxynitrobenzene ; 4-Nitrobenzoic acid ; Benzoicacid, p-nitro- . It is a light yellow crystalline powder.