2-Bromo-3-nitrobenzoic acid

The Benzoicacid, 2-bromo-3-nitro-, with the CAS registry number 573-54-6, is also known as NSC9006. It belongs to the product categories of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Carboxylic Acids; Phenyls & Phenyl-Het; Carboxylic Acids; Phenyls & Phenyl-Het; C7; Carbonyl Compounds. Its EINECS registry number is 209-356-3. This chemical's molecular formula is C₇H₄BrNO₄ and molecular weight is 246.01. Its IUPAC name is called 2-bromo-3-nitrobenzoic acid.

Physical properties of Benzoicacid, 2-bromo-3-nitro-: (1)ACD/LogP: 1.88; (2)ACD/LogD (pH 5.5): -1.15; (3)ACD/LogD (pH 7.4): -1.27; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.65; (12)Molar Refractivity: 47.41 cm³; (13)Molar Volume: 129.9 cm³; (14)Surface Tension: 69.5 dyne/cm; (15)Density: 1.892 g/cm³; (16)Flash Point: 158.1 °C; (17)Enthalpy of Vaporization: 61.32 kJ/mol; (18)Boiling Point: 337.7 °C at 760 mmHg; (19)Vapour Pressure: 4.02E-05 mmHg at 25°C.

Uses of Benzoicacid, 2-bromo-3-nitro-: it can be used to produce 3-nitro-2-(2-nitro-anilino)-benzoic acid with 2-nitro-aniline at temperature of 192 °C. This reaction will need reagents Na₂CO₃, K₂CO₃ and Cu with reaction time of 3 hours. The yield is about 32%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It 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. Whenever you will contact it, please wear suitable protective gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])Br)C(=O)O
(2)InChI: InChI=1S/C7H4BrNO4/c8-6-4(7(10)11)2-1-3-5(6)9(12)13/h1-3H,(H,10,11)
(3)InChIKey: WTDJEGSXLFHZPY-UHFFFAOYSA-N