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3-Chlorobenzyl bromide

3-Chlorobenzyl bromide structure

CAS No:
766-80-3
Formula:
C7H6BrCl
Chemical Name:
3-Chlorobenzyl bromide
Synonyms:
Benzene,1-(bromomethyl)-3-chloro-;Toluene,α-bromo-m-chloro-;1-(Bromomethyl)-3-chlorobenzene;m-Chlorobenzyl bromide;3-Chlorobenzyl bromide;α-Bromo-m-chlorotoluene;α-Bromo-3-chlorotoluene;NSC 60110;2-(Bromomethyl)-4-chlorobenzene;1-Chloro-3-bromomethylbenzene
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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Description

Colorless liquid

3-Chlorobenzyl bromide Basic Attributes

Molecular Weight：

205.48

Exact Mass：

205.48

BRN：

636504

EC Number：

212-171-0

NSC Number：

60110

DSSTox ID：

DTXSID40227411

HScode：

2903999090

Characteristics

PSA：

XLogP3：

3.4

Density：

1.6±0.1 g/cm3

Melting Point：

15 °C

Boiling Point：

109 °C @ Press: 10 Torr

Flash Point：

>230 °F

Refractive Index：

1.584

Water Solubility：

Decomposes in water

Storage Conditions：

Store at R.T.

Safety Information

Packing level：

Ⅱ

Hazard category：

6.1

Transport codes：

UN 3265 8/PG 2

wgk germany：

hazard class code：

safety instructions：

26-36/37/39-45

Marks：

Hazard note：

Corrosive/Lachrymatory

Precautionary statement(s)：

P280-P305 + P351 + P338-P310

Hazard Statements：

H314

GHS Classification：

|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 47 companies from 4 notifications to the ECHA C&L Inventory.

3-Chlorobenzyl bromide Use and Manufacturing

m-chlorotoluene (5.1 g, 40 mmol)Sodium bromate (2.1 g, 14 mmol), sodium bromide (2.9 g, 28 mmol)Dichloromethane (25 mL) was added to a reaction flask equipped with a stirred, reflux condenser, thermometer and tail gas absorber, Heated to reflux, (0.025 g AIBN, 0.025 g BPO dissolved in 5 mL of dichloromethane) was added rapidly to the total volume of the initiator solution, Sulfuric acid (2.1 g, 21 mmol concentrated sulfuric acid diluted with 2.5 mL of water) and the remaining initiator solution were slowly added dropwise, followed by gas chromatography, After the reaction was complete, the mixture was cooled to room temperature, saturated sodium bisulfite solution (10 mL) was added, stirred to red to fade, The aqueous phase was extracted twice with dichloromethane (10 mL x 2), the organic phases were combined and washed with saturated sodium chloride solution, dried and concentratedThe crude product was purified by column chromatography (elution solvent as petroleum ether) to give 6.8 g of m-chlorobenzyl bromide in 83percent yield. The product is colorless liquidGeneral procedure: KBr (29.8 mg, 0.25 mmol, 1.0 equiv), 1-ethyl-4-nitrobenzene (1a) (41.6 mg, 0.275 mmol, 1.1 equiv), Oxone (153.9 mg, 0.25 mmol, 1.0 equiv), CH

Computed Properties

Molecular Weight:205.48
XLogP3:3.4
Rotatable Bond Count:1
Exact Mass:203.93414
Monoisotopic Mass:203.93414
Heavy Atom Count:9
Complexity:85
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3-Chlorobenzyl bromide

CAS No.: 766-80-3

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3-Chlorobenzyl bromide

CAS No.: 766-80-3

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Content: 98%

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