3-Chloro-2-nitrobenzoic acid

The 3-Chloro-2-nitrobenzoic acid, with the CAS registry number 4771-47-5, is also known as 2-Nitro-3-chlorobenzoic acid. It belongs to the product categories of Fine Chemical & Intermediates; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; C7; Carbonyl Compounds; Carboxylic Acids; Building Blocks; Chemical Synthesis; Organic Building Blocks. Its EINECS number is 225-313-1. This chemical's molecular formula is C₇H₄ClNO₄ and molecular weight is 201.56. What's more, its systematic name is 3-Chloro-2-nitrobenzoic acid. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a ventilated and dry place. Moreover, it should be protected from light. It is used as organic reagent and pharmaceutical intermediates.

Physical properties of 3-Chloro-2-nitrobenzoic acid are: (1)ACD/LogP: 2.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.95; (4)ACD/LogD (pH 7.4): -1.06; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 83.12 Å²; (13)Index of Refraction: 1.628; (14)Molar Refractivity: 44.623 cm³; (15)Molar Volume: 125.755 cm³; (16)Polarizability: 17.69×10^-24cm³; (17)Surface Tension: 67.7 dyne/cm; (18)Density: 1.603 g/cm³; (19)Flash Point: 174.88 °C; (20)Enthalpy of Vaporization: 64.556 kJ/mol; (21)Boiling Point: 365.552 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Uses of 3-Chloro-2-nitrobenzoic acid: it can be used to produce 2-amino-3-chloro-benzoic acid at the ambient temperature. It will need reagents NiCl₂*6H₂O, NaBH₄ and solvents methanol, H₂O with the reaction time of 1 hour. The yield is about 85%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You must avoid contact with skin and eyes. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1c(cccc1Cl)C(=O)O
(2)Std. InChI: InChI=1S/C7H4ClNO4/c8-5-3-1-2-4(7(10)11)6(5)9(12)13/h1-3H,(H,10,11)
(3)Std. InChIKey: VCHSXYHBMFKRBK-UHFFFAOYSA-N