Basic information
- Name:
4-Chloro-3-nitrobenzoic acid
- CAS No.:
96-99-1
- Molecular Structure:
- Formula:
- C7H4ClNO4
- Molecular Weight:
- 201.57
- Synonyms:
- 4-chloro-3-nitro-benzoate;4-Chloro-3-Nitro Benzoic Acid;Benzoic acid, 4-chloro-3-nitro-;Kyselina 4-chloro-3-nitrobenzoova;Kyselina 4-chloro-3-nitrobenzoova [Czech];4-09-00-01226 (Beilstein Handbook Reference);3-Nitro-4-chlorobenzoic acid;4-chloro-3-nitro-benzoic acid;3-Nitro-4-chloro-benzoic acid;
- EINECS:
- 202-550-9
- Density:
- 1.602 g/cm3
- Melting Point:
- 180-183 °C(lit.)
- Boiling Point:
- 371.6 °C at 760 mmHg
- Flash Point:
- 178.5 °C
- Appearance:
- white to light yellow crystal powder
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 26-24/25-36 Details
- particular:
- particular
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Chemistry
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IUPAC Name: 4-Chloro-3-nitrobenzoic acid
Molecular Formula: C7H4ClNO4
Molecular Weight: 201.57 g/mol
SMILES: O=[N+]([O-])c1cc(ccc1Cl)C(=O)O Copy
InChI: InChI=1/C7H4ClNO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,(H,10,11)
EINECS: 202-550-9
Classification Code: Mutation data
Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic acid; Organic acids; C7; Carbonyl Compounds; Carboxylic Acids
Melting Point: 180-183 °C(lit.)
Index of Refraction: 1.627
Molar Refractivity: 44.62 cm3
Molar Volume: 125.7 cm3
Surface Tension: 67.7 dyne/cm
Density: 1.602 g/cm3
Flash Point: 178.5 °C
Enthalpy of Vaporization: 65.26 kJ/mol
Boiling Point: 371.6 °C at 760 mmHg
Vapour Pressure of 4-Chloro-3-nitrobenzoic acid (CAS NO.96-99-1): 3.53E-06 mmHg at 25 °C
Uses
4-Chloro-3-nitrobenzoic acid (CAS NO.96-99-1) can be used as pharmaceutical intermediates in Organic synthesis , used in the manufacture of dyes and pharmaceutical , also can be used in producing methylimidazole.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| bird - wild | LD50 | oral | 75mg/kg (75mg/kg) | Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972. | |
| rat | LD50 | oral | 3150mg/kg (3150mg/kg) | "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 577, 1986. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Poison by ingestion. Mutation data reported. When heated to decomposition it emits very toxic fumes of NOx and Cl−.
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-24/25-36
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.
S36:Wear suitable protective clothing.
WGK Germany: 2
RTECS of 4-Chloro-3-nitrobenzoic acid (CAS NO.96-99-1): DG5425050
Specification
4-Chloro-3-nitrobenzoic acid (CAS NO.96-99-1), its Synonyms are 3-Nitro-4-chlorobenzoic acid ; Kyselina 4-chloro-3-nitrobenzoova ; Benzoic acid, 4-chloro-3-nitro- . It is white to light yellow crystal powder.
