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4-Benzyloxybromobenzene

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Name

4-Benzyloxybromobenzene

EINECS -0
CAS No. 6793-92-6 Density 1.382 g/cm3
PSA 9.23000 LogP 4.02810
Solubility N/A Melting Point 60-63 °C(lit.)
Formula C13H11BrO Boiling Point 340.6 °C at 760 mmHg
Molecular Weight 263.134 Flash Point 140 °C
Transport Information N/A Appearance White solid
Safety 26 36 Risk Codes 36/37/38-20/21/22
Molecular Structure Molecular Structure of 6793-92-6 (4-Benzyloxybromobenzene) Hazard Symbols HarmfulXn, IrritantXi
Synonyms

Benzyl p-bromophenylether;p-(Benzyloxy)bromobenzene;p-(Benzyloxy)phenyl bromide;p-Bromophenylbenzyl ether;Ether,benzyl p-bromophenyl (6CI,7CI,8CI);1-(Benzyloxy)-4-bromobenzene;1-Bromo-4-(benzyloxy)benzene;1-Bromo-4-(phenylmethoxy)benzene;1-Bromo-4-[(phenylmethyl)oxy]benzene;4-(Benzyloxy)bromobenzene;4-Benzyloxy-1-bromobenzene;Benzyl 4-bromophenyl ether;

Article Data 97

4-Benzyloxybromobenzene Specification

The Benzene,1-bromo-4-(phenylmethoxy)-, with CAS registry number 6793-92-6, belongs to the following product categories: (1)Aromatic Halides (substituted); (2)Aromatics Compounds; (3)Building Blocks for Liquid Crystals; (4)Chalcones, etc. (Building Blocks for Liquid Crystals); (5)Functional Materials; (6)Aromatics; (7)Ethers; (8)Organic Building Blocks; (9)Oxygen Compounds. It has the systematic name of 1-(benzyloxy)-4-bromobenzene. This chemical is a kind of white solid.

Physical properties of Benzene,1-bromo-4-(phenylmethoxy)-: (1)ACD/LogP: 4.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.82; (4)ACD/LogD (pH 7.4): 4.82; (5)ACD/BCF (pH 5.5): 2714.95; (6)ACD/BCF (pH 7.4): 2714.95; (7)ACD/KOC (pH 5.5): 9988.07; (8)ACD/KOC (pH 7.4): 9988.07; (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)Enthalpy of Vaporization: 56.11 kJ/mol; (19)Vapour Pressure: 0.000168 mmHg at 25°C.

Preparation: this chemical can be prepared by benzyloxy-benzene. This reaction will need reagents dibenzoyl peroxide, CCl4, N-bromo-succinimide.

Uses of Benzene,1-bromo-4-(phenylmethoxy)-: it can be used to produce 4-bromo-phenol. This reaction will need reagents AlCl3, PhNMe2 and solvent CH2Cl2. The reaction time is 0.5 hour(s). The yield is about 91%.

When you are using this chemical, please be cautious about it as the following:
The Benzene,1-bromo-4-(phenylmethoxy)- irritates to eyes, respiratory system and skin. And this chemical is harmful by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: Brc2ccc(OCc1ccccc1)cc2
(2)InChI: InChI=1/C13H11BrO/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9H,10H2
(3)InChIKey: OUQSGILAXUXMGI-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C13H11BrO/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9H,10H2
(5)Std. InChIKey: OUQSGILAXUXMGI-UHFFFAOYSA-N

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