The IUPAC name of 4-(Bromomethyl)phenylboronic acid is [4-(bromomethyl)phenyl]boronic acid. With the CAS registry number 68162-47-0, it is also named as 4-Boronobenzyl bromide. The product's categories are Blocks; Boronic Acids; Bromides; Boronic Acid Series; Boronic Acids; Heterocyclic Compounds; Boronic Acid; Aryl; Boronic Acids; Boronic Acids and Derivatives; Organoborons. Besides, it is cream-colored crystalline powder, which should be stored in sealed containers in a cool, dry place away from oxidizing agents. In addition, its molecular formula is C₇H₈BBrO₂ and molecular weight is 214.85.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.29; (4)ACD/LogD (pH 7.4): 2.26; (5)ACD/BCF (pH 5.5): 32.36; (6)ACD/BCF (pH 7.4): 30.06; (7)ACD/KOC (pH 5.5): 419.13; (8)ACD/KOC (pH 7.4): 389.41; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.582; (13)Molar Refractivity: 45.64 cm³; (14)Molar Volume: 136.7 cm³; (15)Surface Tension: 49.6 dyne/cm; (16)Density: 1.57 g/cm³; (17)Flash Point: 161.3 °C; (18)Melting point: 173-177 °C; (19)Enthalpy of Vaporization: 61.95 kJ/mol; (20)Boiling Point: 343.1 °C at 760 mmHg; (21)Vapour Pressure: 2.75E-05 mmHg at 25 °C.

Preparation of 4-(Bromomethyl)phenylboronic acid: this chemical can be prepared by p-Tolyl-boronic acid.



This reaction needs NBS, PBO and CCl₄ by heating for 12 hours. The yield is 46 %.

Uses of 4-(Bromomethyl)phenylboronic acid: it can react with 2,3-Dimethyl-butane-2,3-diol to get 2-(4-Bromomethyl-phenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane.



This reaction needs Hexane at temperature of 20 °C for 24 hours. The yield is 52 %.

When you are using this chemical, please be cautious about it as the following: it is harmful by inhalation, in contact with skin and if swallowed. It is also irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing and gloves.

People can use the following data to convert to the molecule structure.
(1)SMILES: BrCc1ccc(B(O)O)cc1
(2)InChI: InChI=1/C7H8BBrO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,10-11H,5H2
(3)InChIKey: PDNOURKEZJZJNZ-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C7H8BBrO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,10-11H,5H2
(5)Std. InChIKey: PDNOURKEZJZJNZ-UHFFFAOYSA-N