CAS No.578-51-8,2-BROMOBENZYL CHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	578-51-8
Name:	2-BROMOBENZYL CHLORIDE
Article Data:	18

Formula:	C₇H₆BrCl
Molecular Weight:	205.482
Synonyms:	1-Bromo-2-(chloromethyl)benzene;Toluene,o-bromo-a-chloro- (6CI,7CI,8CI);o-Bromobenzyl chloride;
Density:	1.541 g/cm³
Boiling Point:	240.18 °C at 760 mmHg
Flash Point:	109.378 °C
Solubility:	Not miscible or difficult to mix with water.
Appearance:	Clear colorless to pale yellow liquid
Hazard Symbols:	C
Risk Codes:	34
Safety:	45-36/37/39-26
PSA:	0.00000
LogP:	3.18790

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Specification

The 2-Bromobenzyl chloride, with the CAS registry number 578-51-8, is also known as o-Bromobenzyl chloride. This chemical's molecular formula is C₇H₆BrCl and molecular weight is 205.48. What's more, its systematic name is 1-Bromo-2-(chloromethyl)benzene. This chemical should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides, water and moisture.

Physical properties of 2-Bromobenzyl chloride are: (1)ACD/LogP: 3.303; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.30; (4)ACD/LogD (pH 7.4): 3.30; (5)ACD/BCF (pH 5.5): 190.78; (6)ACD/BCF (pH 7.4): 190.78; (7)ACD/KOC (pH 5.5): 1492.83; (8)ACD/KOC (pH 7.4): 1492.83; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.569; (13)Molar Refractivity: 43.709 cm³; (14)Molar Volume: 133.313 cm³; (15)Polarizability: 17.327×10^-24cm³; (16)Surface Tension: 38.9 dyne/cm; (17)Density: 1.541 g/cm³; (18)Flash Point: 109.378 °C; (19)Enthalpy of Vaporization: 45.775 kJ/mol; (20)Boiling Point: 240.18 °C at 760 mmHg; (21)Vapour Pressure: 0.06 mmHg at 25°C.

Uses of 2-Bromobenzyl chloride: it can be used to produce N-phenyl-o-bromobenzyl amine at the temperature of 95 °C. It will need reagent aq. sodium bicarbonate with the reaction time of 2 hours. The yield is about 79%.

2-Bromobenzyl chloride can be used to produce N-phenyl-o-bromobenzyl amine at the temperature of 95 °C

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

You can still convert the following datas into molecular structure:
(1)SMILES: ClCc1ccccc1Br
(2)Std. InChI: InChI=1S/C7H6BrCl/c8-7-4-2-1-3-6(7)5-9/h1-4H,5H2
(3)Std. InChIKey: DDVSFIUKWUTKES-UHFFFAOYSA-N