2-(Bromomethyl)-1-chloro-3-fluorobenzene

Basic Information

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CAS Number

68220-26-8

Molecular Formula

C7H5BrClF

Molecular Weight

223.47 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

222°C at 760 mmHg

Density

1.629 g/mL at 25 °C

Refractive Index

n20/D 1.568(lit.)

SMILES

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C1=CC(=C(C(=C1)Cl)CBr)F

InChI

InChI=1S/C7H5BrClF/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2

InChIKey

IGUVNNXFTDCASP-UHFFFAOYSA-N

LogP

3.3740000000000006

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

110

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 8 Class 8

Sensitiveness

Lachrymatory

Synonyms & References

English

SCHEMBL4706
CS-W014229
68220-26-8
1-bromomethyl-2-chloro-6-fluorobenzene
Benzene, 2-(bromomethyl)-1-chloro-3-fluoro-
2-bromomethyl-1-chloro-3-fluoro-benzene
2-(bromomethyl)-1-chloro-3-fluoro-benzene
IGUVNNXFTDCASP-UHFFFAOYSA-N
MFCD00040126
Benzene, 2-(bromomethyl)-1-chloro-3-fluoro-;a-bromo-2-chloro-6-fluorotoluene
AKOS000446900
1H-Benzimidazole,4-methoxy-
C2308
FT-0611857
PS-10025
2-Chloro-6-fluorobenzyl bromide, 96%
AM62189
DTXSID70378602
2-Chloro-6-fluorobenzyl bromide
EN300-170761
A22674
2-chloro-6-fluoro-benzyl bromide
2-(bromomethyl)-1-chloro-3-fluorobenzene
2-Chloro-6-Florobenzyl Bromide
2-(bromo-methyl)-1-chloro-3-fluorobenzene
2-bromomethyl-1-chloro-3-fluorobenzene
2-(Bromomethyl)-1-chloro-3-fluorobenzene
alpha-Bromo-2-chloro-6-fluorotoluene
2-Chloro-6-fluorobenzyl Bromide
2-BROMOMETHYL-1-CHLORO-3-FLUORO-BENZENE
2-chloro-6-fluorobenzylbromide

MDL Number

MFCD00040126

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 2-(Bromomethyl)-1-chloro-3-fluorobenzene (CAS: 68220-26-8)?

2-(Bromomethyl)-1-chloro-3-fluorobenzene (CAS: 68220-26-8) is a crystalline white solid with a molecular weight of approximately 234.57 g/mol. It has a high solubility in organic solvents such as acetone and methylene chloride. Chemically, it is reactive towards nucleophiles, particularly towards bromide ions. It is less reactive towards fluoride and chloride due to steric hindrance but can be used in synthesis involving these reagents.

How is 2-(Bromomethyl)-1-chloro-3-fluorobenzene (CAS: 68220-26-8) typically synthesized?

2-(Bromomethyl)-1-chloro-3-fluorobenzene (CAS: 68220-26-8) is typically synthesized through a reaction involving 3-chloro-1-fluorobenzene and hydrogen bromide. The reaction is carried out in a suitable solvent like methanol or ethanol at room temperature, with high selectivity towards the bromomethyl group formation.

What industries use 2-(Bromomethyl)-1-chloro-3-fluorobenzene (CAS: 68220-26-8)?

2-(Bromomethyl)-1-chloro-3-fluorobenzene (CAS: 68220-26-8) is used in various industries, particularly in pharmaceuticals for the synthesis of certain drugs, and in the chemical industry for the production of dyes and other organic compounds. Its specific applications include as an intermediate in the synthesis of heterocycles and in materials science for the development of new polymers.

What precautions should be taken when handling 2-(Bromomethyl)-1-chloro-3-fluorobenzene (CAS: 68220-26-8)?

When handling 2-(Bromomethyl)-1-chloro-3-fluorobenzene (CAS: 68220-26-8), appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. Work should be conducted in a well-ventilated area or a fume hood. Spills should be handled with appropriate absorbent materials, and the area should be flushed with water. Safety data sheets (SDS) should be consulted for detailed handling and disposal information.