2-Bromo-3-fluorobenzoic acid

The 2-Bromo-3-fluorobenzoic acid is an organic compound with the formula C₇H₄BrFO₂. The IUPAC name of this chemical is 2-bromo-3-fluorobenzoic acid. With the CAS registry number 132715-69-6, it is also named as Benzoic acid, 2-bromo-3-fluoro-. The product's categories are Acids and Derivatives; Halides; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic Acid; Benzoic Acid Series. Besides, it should be stored in a cool dry and well-ventilated place.

Physical properties about 2-Bromo-3-fluorobenzoic acid are: (1)ACD/LogP: 2.33; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 2; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 26.3 Å²; (10)Index of Refraction: 1.582; (11)Molar Refractivity: 40.86 cm³; (12)Molar Volume: 122.3 cm³; (13)Polarizability: 16.2×10^-24cm³; (14)Surface Tension: 51 dyne/cm; (15)Density: 1.789 g/cm³; (16)Flash Point: 130.8 °C; (17)Enthalpy of Vaporization: 56.21 kJ/mol; (18)Boiling Point: 292.7 °C at 760 mmHg; (19)Vapour Pressure: 0.000822 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-fluoro-benzoic acid. This reaction will need reagent s-BuLi, tmeda, 1,2-dibromotetrachloroethane and solvent tetrahydrofuran. The reaction time is 20 min with reaction temperature of -90 °C. The yield is about 71%.

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

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cccc(C(=O)O)c1Br
(2)InChI: InChI=1/C7H4BrFO2/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3H,(H,10,11)
(3)InChIKey: KQRCBMPPEPNNDS-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C7H4BrFO2/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3H,(H,10,11)
(5)Std. InChIKey: KQRCBMPPEPNNDS-UHFFFAOYSA-N