CAS No.6793-92-6,4-Benzyloxybromobenzene Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	6793-92-6
Name:	4-Benzyloxybromobenzene
Article Data:	97

Formula:	C₁₃H₁₁BrO
Molecular Weight:	263.134
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;
EINECS:	-0
Density:	1.382 g/cm³
Melting Point:	60-63 °C(lit.)
Boiling Point:	340.6 °C at 760 mmHg
Flash Point:	140 °C
Appearance:	White solid
Hazard Symbols:	Xn, Xi
Risk Codes:	36/37/38-20/21/22
Safety:	26 36
PSA:	9.23000
LogP:	4.02810

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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