2-BROMO-5-NITROBENZOIC ACID

The 2-Bromo-5-nitrobenzoic acid, with the CAS registry number 943-14-6, is also known as Benzoic acid, 2-bromo-5-nitro-. It belongs to the product categories of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic acid; Acids & Esters; Bromine Compounds; Nitro Compounds; C7; Carbonyl Compounds; Carboxylic Acids. This chemical's molecular formula is C₇H₄BrNO₄ and molecular weight is 246.01. What's more, its systematic name is 2-Bromo-5-nitrobenzoic acid. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides.

Physical properties of 2-Bromo-5-nitrobenzoic acid are: (1)ACD/LogP: 2.483; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.45; (4)ACD/LogD (pH 7.4): -0.66; (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: 1.65; (14)Molar Refractivity: 47.419 cm³; (15)Molar Volume: 129.989 cm³; (16)Polarizability: 18.798×10^-24cm³; (17)Surface Tension: 69.5 dyne/cm; (18)Density: 1.893 g/cm³; (19)Flash Point: 177.844 °C; (20)Enthalpy of Vaporization: 65.13 kJ/mol; (21)Boiling Point: 370.453 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Uses of 2-Bromo-5-nitrobenzoic acid: it can be used to produce 2-ethoxy-1-phenyl-ethanol 2-bromo-5-nitro-benzoic acid methyl ester by heating. It will need reagent H₂SO₄ with the reaction time of 16 hours. The yield is about 90%.

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. When using it, you need wear suitable protective gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cc(ccc1Br)[N+]([O-])=O
(2)Std. InChI: InChI=1S/C7H4BrNO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,(H,10,11)
(3)Std. InChIKey: UVFWYVCDRKRAJH-UHFFFAOYSA-N