2-Bromo-4-fluorobenzoic acid

The 2-Bromo-4-fluorobenzoic acid, with the CAS registry number 1006-41-3, is also known as 4-Fluoro-2-bromobenzoic acid. It belongs to the product categories of Fluorin-contained Benzoic acid series; Fine Chemical & Intermediates; Bromides; Carboxes; Fluoro Compounds; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic acid; Fluorobenzene; Acids & Esters; Bromine Compounds; C7; Carbonyl Compounds; Carboxylic Acids. This chemical's molecular formula is C₇H₄BrFO₂ and molecular weight is 219.01. What's more, its systematic name is 2-Bromo-4-fluorobenzoic 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-4-fluorobenzoic acid are: (1)ACD/LogP: 2.314; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.26; (4)ACD/LogD (pH 7.4): -0.82; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.15; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.3 Å²; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 40.867 cm³; (15)Molar Volume: 122.357 cm³; (16)Polarizability: 16.201×10^-24cm³; (17)Surface Tension: 51.0 dyne/cm; (18)Density: 1.79 g/cm³; (19)Flash Point: 131.762 °C; (20)Enthalpy of Vaporization: 56.382 kJ/mol; (21)Boiling Point: 294.257 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

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 clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc(F)cc1Br
(2)Std. InChI: InChI=1S/C7H4BrFO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,(H,10,11)
(3)Std. InChIKey: RRKPMLZRLKTDQV-UHFFFAOYSA-N