3-Bromophenylacetic acid

The IUPAC name of this chemical is 2-(3-bromophenyl)acetic acid. With the CAS registry number 1878-67-7, it is also named as Benzeneacetic acid, 3-bromo-. The product's categories are Phenylacetic acid series; Bromides; Carboxes; Aromatic Phenylacetic Acids and Derivatives; Organic acids; Miscellaneous; Carbonyl Compounds; Carboxylic Acids. It is white crystalline powder or needles which should be sealed in the container and stored in the cool and dry place.

The other characteristics of 3-Bromophenylacetic Acid can be summarized as: (1)ACD/LogP: 2.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.88; (4)ACD/LogD (pH 7.4): -0.88; (5)ACD/BCF (pH 5.5): 1.27; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 16.59; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2 ; (12)Index of Refraction: 1.592; (13)Molar Refractivity: 45.05 cm³; (14)Molar Volume: 133 cm³; (15)Polarizability: 17.86×10^-24 cm³; (16)Surface Tension: 51.3 dyne/cm; (17)Enthalpy of Vaporization: 59.98 kJ/mol; (18)Vapour Pressure: 9.03E-05 mmHg at 25°C; (19)Rotatable Bond Count: 2; (20)Exact Mass: 213.962942; (21)MonoIsotopic Mass: 213.962942; (22)Topological Polar Surface Area: 37.3; (23)Heavy Atom Count: 11; (24)Complexity: 147.

Uses of 3-Bromophenylacetic Acid: It can react with 4,6-dimethyl-pyridin-2-ylamine to get 2-(3-bromo-phenyl)-N-(4,6-dimethyl-pyridin-2-yl)-acetamide. This reaction needs reagent triphenylphosphine and bromotrichloromethane and solvent tetrahydrofuran by heating. The reaction time is 3 hours. The yield is 68 %.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin, so people should not breathe dust and avoid contact with skin and eyes. 

People can use the following data to convert to the molecule structure. 
1. SMILES:Brc1cc(ccc1)CC(=O)O
2. InChI:InChI=1/C8H7BrO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
3. InChIKey:KYNNBXCGXUOREX-UHFFFAOYAK