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2-Chloro-3-fluorobenzyl bromide

2-Chloro-3-fluorobenzyl bromide structure

CAS No:
874285-19-5
Formula:
C7H5BrClF
Chemical Name:
2-Chloro-3-fluorobenzyl bromide
Synonyms:
2-Chloro-3-fluorobenzyl bromide;1-(bromomethyl)-2-chloro-3-fluorobenzene;2-chloro-3-fluorobenzylbromide;Benzene, 1-(bromomethyl)-2-chloro-3-fluoro-;KSC493Q5B;SCHEMBL5627142;3-fluoro-2-chlorobenzyl bromide;CTK3J3850;DTXSID20660660;ACT03537

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2-Chloro-3-fluorobenzyl bromide Basic Attributes

Molecular Weight：

223.47

Exact Mass：

221.924713

DSSTox ID：

DTXSID20660660

HScode：

2903999090

Characteristics

PSA：

XLogP3：

3.2

Density：

1.7±0.1 g/cm3

Boiling Point：

227.1°C at 760 mmHg

Flash Point：

91.1±23.2 °C

Refractive Index：

1.562

Safety Information

Precautionary statement(s)：

P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, P501

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 2 companies from 1 notifications to the ECHA C&L Inventory.

2-Chloro-3-fluorobenzyl bromide Use and Manufacturing

To a solution of 2-Chloro-3-fluorobenzyl bromide 4a (1.0 g, 4.47 mmol) was added to 10 mL of acetonitrile. The reaction solutionwas cooled in an ice bath, and added with trimethylcyanosilane 4b (532 mg, 5.37 mmol). After completion of the addition, the ice bath was removed. The reaction solution was naturally warmed up to room temperature, and stirred for 15 hours.The reaction solution was concentrated under reduced pressure, and the resulting residue was purified by silica gelcolumn chromatography with elution system B to obtain the title product 4c (500 mg), yield: 65.9%.MS m/z (ESI): 170.2 [M+1].

Computed Properties

Molecular Weight:223.47
XLogP3:3.2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:221.92472
Monoisotopic Mass:221.92472
Heavy Atom Count:10
Complexity:110
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2-Chloro-3-fluorobenzyl bromide

CAS No.: 874285-19-5

Content: 99.00%

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Guide of 2-Chloro-3-fluorobenzyl bromide

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
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2-Chloro-3-fluorobenzyl bromide

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