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2-Bromobenzyl chloride

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Name

2-Bromobenzyl chloride

EINECS N/A
CAS No. 578-51-8 Density 1.541 g/cm3
PSA 0.00000 LogP 3.18790
Solubility Not miscible or difficult to mix with water. Melting Point N/A
Formula C7H6BrCl Boiling Point 240.18 °C at 760 mmHg
Molecular Weight 205.482 Flash Point 109.378 °C
Transport Information N/A Appearance Clear colorless to pale yellow liquid
Safety 45-36/37/39-26 Risk Codes 34
Molecular Structure Molecular Structure of 578-51-8 (2-BROMOBENZYL CHLORIDE) Hazard Symbols CorrosiveC
Synonyms

1-Bromo-2-(chloromethyl)benzene;Toluene,o-bromo-a-chloro- (6CI,7CI,8CI);o-Bromobenzyl chloride;

Article Data 18

2-Bromobenzyl chloride 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 

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