The IUPAC name of 3-Benzyloxybromobenzene is 1-bromo-3-phenylmethoxybenzene. With the CAS registry number 53087-13-1, it is also named as Benzene,1-bromo-3-(phenylmethoxy)-. The product's categories are Phenetole; Anisoles, Alkyloxy Compounds & Phenylacetates; Bromine Compounds; Ethers; Organic Building Blocks; Oxygen Compounds. Besides, it is white to light yellow crystal powder, which should be stored in tightly sealed container in a cool, dry place. And you should ensure that the workplaces have good ventilated or exhaust devices. In addition, its molecular formula is C₁₃H₁₁BrO and molecular weight is 263.13.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 4.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.68; (4)ACD/LogD (pH 7.4): 4.68; (5)ACD/BCF (pH 5.5): 2125.01; (6)ACD/BCF (pH 7.4): 2125.01; (7)ACD/KOC (pH 5.5): 8381.5; (8)ACD/KOC (pH 7.4): 8381.5; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 65.1 cm³; (15)Molar Volume: 190.3 cm³; (16)Polarizability: 25.81×10^-24cm³; (17)Surface Tension: 42.7 dyne/cm; (18)Density: 1.382 g/cm³; (19)Flash Point: 137.6 °C; (20)Melting point: 57-60 °C; (21)Enthalpy of Vaporization: 55.35 kJ/mol; (22)Boiling Point: 333.5 °C at 760 mmHg; (23)Vapour Pressure: 0.000264 mmHg at 25 °C.

Preparation of 3-Benzyloxybromobenzene: this chemical can be prepared by 1-Bromo-3-nitro-benzene and Phenylmethanol.



This reaction needs KOH, Tetrabutylammonium bromid (TBB) and various solvents at temperature of 50 °C. The reaction time is 24 hours. The yield is 94 %.

Uses of 3-Benzyloxybromobenzene: it can react with Anthranilic acid N-methoxy-N-methylamide to get (2-Amino-phenyl)-(3-benzyloxy-phenyl)-methanone.



This reaction needs n-BuLi, Hexane and Tetrahydrofuran at temperature of -78 °C for 20 min. The yield is 67 %.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin that may cause sensitization by skin contact. It is also risk of serious damage to the eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection. Moreover, this chemical is very toxic to aquatic organisms that may cause long-term adverse effects in the aquatic environment. In case of fire and / or explosion do not breathe fumes. Please avoid exposure - obtain special instructions before use. Furthermore, this material and its container must be disposed of as hazardous waste. You should avoid release to the environment. Refer to special instructions / safety data sheets.

People can use the following data to convert to the molecule structure.
(1)SMILES: Brc2cc(OCc1ccccc1)ccc2
(2)InChI: InChI=1/C13H11BrO/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h1-9H,10H2
(3)InChIKey: HVWZMGZBJCJDOX-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C13H11BrO/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h1-9H,10H2
(5)Std. InChIKey: HVWZMGZBJCJDOX-UHFFFAOYSA-N