The CAS register number of Methyl 4-(bromomethyl)benzoate is 2417-72-3. It also can be called as Benzoic acid,4-(bromomethyl)-, methyl ester and the IUPAC name about this chemical is methyl 4-(bromomethyl)benzoate. The molecular formula about this chemical is C₉H₉BrO₂ and the molecular weight is 229.07. It belongs to the following product categories, such as Chemical intermediate for Eprosartan; Aromatic Esters; Methyl Halides; Phenyls & Phenyl-Het; Methyl Halides; Phenyls & Phenyl-Het; C8 to C9; Carbonyl Compounds; Esters and so on. This chemical is stable under normal temperature and pressure, it need avoid contact with oxide and alkali. If you want to store this chemical, please keep it in a tightly closed container and store it in a cool, dry place.

Physical properties about Methyl 4-(bromomethyl)benzoate are: (1)ACD/LogP: 2.90; (2)ACD/LogD (pH 5.5): 2.9; (3)ACD/LogD (pH 7.4): 2.9; (4)ACD/BCF (pH 5.5): 93.64; (5)ACD/BCF (pH 7.4): 93.64; (6)ACD/KOC (pH 5.5): 897.01; (7)ACD/KOC (pH 7.4): 897.01; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 26.3Ų; (11)Index of Refraction: 1.559; (12)Molar Refractivity: 50.67 cm³; (13)Molar Volume: 156.8 cm³; (14)Polarizability: 20.08x10^-24cm³; (15)Surface Tension: 42.7 dyne/cm; (16)Enthalpy of Vaporization: 55.04 kJ/mol; (17)Boiling Point: 309.7 °C at 760 mmHg; (18)Vapour Pressure: 0.00063 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-methyl-benzoic acid methyl ester. This reaction will need reagent N-bromosuccinimide, dibenzoyl-peroxide and solvent CCl₄. The reaction time is 2.5 hour(s) at heating. The yield is about 80%.

Uses of Methyl 4-(bromomethyl)benzoate: it can be used to produce bibenzyl-4,4'-dicarboxylic acid dimethyl ester at temperature of 85 ℃. This reaction will need reagent Ni-Cu/graphite and solvent 1,2-dimethoxy-ethane with reaction time of 20 hours. The yield is about 85%.

When you are using this chemical, please be cautious about it as the following:
This chemical harmful if swallowed and it can cause burns, it may cause sensitization by skin contact. When you are using it, wear suitable protective clothing, gloves and eye/face protection, you need avoid contact with eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice and in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: BrCc1ccc(C(=O)OC)cc1
(2)InChI: InChI=1/C9H9BrO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,6H2,1H3
(3)InChIKey: NLWBJPPMPLPZIE-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C9H9BrO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,6H2,1H3
(5)Std. InChIKey: NLWBJPPMPLPZIE-UHFFFAOYSA-N