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CAS No.: | 610-36-6 |
---|---|
Name: | 4-Amino-2-nitrobenzoic acid |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C7H6N2O4 |
Molecular Weight: | 182.136 |
Synonyms: | 2-Nitro-4-aminobenzoicacid;Benzoic acid,4-amino-2-nitro-;NSC 202382;NSC 37403; |
Density: | 1.568 g/cm3 |
Melting Point: | 239 °C |
Boiling Point: | 440.9 °C at 760 mmHg |
Flash Point: | 220.4 °C |
Hazard Symbols: | Xi,Xn |
Risk Codes: | R36/37/38; R20/21/22 |
PSA: | 109.14000 |
LogP: | 1.97960 |
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This product is an organic compound with the formula C7H6N2O4. The systematic name of this chemical is 4-Amino-2-nitrobenzoic acid. It belongs to the product category of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. With the CAS registry number 610-36-6, it is also named as Benzoic acid,4-amino-2-nitro-. In addition, the molecular weight is 182.13. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. It is commonly used as pharmaceutical intermediate.
Physical properties of Benzoic acid,4-amino-2-nitro- are: (1)ACD/LogP: 1.20; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 75.36 Å2; (11)Index of Refraction: 1.681; (12)Molar Refractivity: 43.96 cm3; (13)Molar Volume: 116 cm3; (14)Polarizability: 17.42×10-24cm3; (15)Surface Tension: 83.3 dyne/cm; (16)Density: 1.568 g/cm3; (17)Flash Point: 220.4 °C; (18)Enthalpy of Vaporization: 73.57 kJ/mol; (19)Boiling Point: 440.9 °C at 760 mmHg; (20)Vapour Pressure: 1.5E-08 mmHg at 25°C.
Preparation of Benzoic acid,4-amino-2-nitro-: this chemical can be prepared by 2,4-dinitro-benzoic acid. This reaction will need reagent 15% aq. ammonium sulphide. The yield is about 57%.
Uses of Benzoic acid,4-amino-2-nitro-: it can be used to produce 2-nitro-4-(2-nitro-benzoylamino)-benzoic acid at the temperature of 20 °C. It will need reagent Na2CO3 and solvent H2O with the reaction time of 0.5 hour. The yield is about 68%.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1S/C7H6N2O4/c8-4-1-2-5(7(10)11)6(3-4)9(12)13/h1-3H,8H2,(H,10,11)
(2)InChIKey: SAJYSJVBNGUWJK-UHFFFAOYSA-N
(3)Canonical SMILES: C1=CC(=C(C=C1N)[N+](=O)[O-])C(=O)O