1-Chloro-4-(chloromethyl)-2-fluorobenzene

Basic Information

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CAS Number

160658-68-4

Molecular Formula

C7H5Cl2F

Molecular Weight

179.02 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Boiling Point

213.716°C at 760 mmHg

Density

1.343

Flash Point

88.2°C

Refractive Index

1.525

SMILES

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C1=CC(=C(C=C1CCl)F)Cl

InChI

InChI=1S/C7H5Cl2F/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H2

InChIKey

ILWFNKLXPUKLEP-UHFFFAOYSA-N

LogP

3.217900000000001

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

108

Synonyms & References

English

3-fluoro-4-chlorobenzyl
EN300-159798
3-fluoro-4-chloro benzyl chloride
1-Chloro-4-chloromethyl-2-fluoro-benzene;4-Chloro-3-fluorobenzyl chloride;1-Chloro-4-(chloromethyl)-2-fluorobenzene
3-Fluoro-4-chlorobenzyl chloride
4-Chloro-3-fluorobenzylchloride
3-FLUORO-4-CHLOROBENZYLCHLORIDE
AKOS005266472
AC-26179
SCHEMBL4524759
DTXSID50373938
160658-68-4
MFCD05864316
Benzene, 1-chloro-4-(chloromethyl)-2-fluoro-
FT-0694625
4-Chloro-3-fluorobenzyl chloride
CK1006
A22508
1-chloro-4-(chloromethyl)-2-fluorobenzene
FS-5824
1-Chloro-4-(chloromethyl)-2-fluorobenzene
3-(Chloromethyl)-2-fluorochlorobenzene

MDL Number

MFCD05864316

FAQ

What are the physical and chemical properties of 1-Chloro-4-(chloromethyl)-2-fluorobenzene (CAS: 160658-68-4)?

1-Chloro-4-(chloromethyl)-2-fluorobenzene is a crystalline solid with a molecular weight of approximately 214.03 g/mol. It has a limited solubility in water but is more soluble in organic solvents like dichloromethane and acetone. The compound is moderately reactive, primarily through aromatic and chloromethyl groups, making it suitable for various chemical transformations. It exhibits weak acidity and basicity depending on the reaction conditions.

How is 1-Chloro-4-(chloromethyl)-2-fluorobenzene (CAS: 160658-68-4) typically synthesized?

1-Chloro-4-(chloromethyl)-2-fluorobenzene can be synthesized via electrophilic aromatic substitution reactions. A common method involves the reaction of 2-fluorobenzaldehyde with thionyl chloride, followed by the addition of methyl chloromethyl ether. The synthesis typically requires mild to moderate reaction conditions, with yields ranging from 50% to 70%. The use of appropriate catalysts can enhance selectivity and yield.

What industries use 1-Chloro-4-(chloromethyl)-2-fluorobenzene (CAS: 160658-68-4)?

1-Chloro-4-(chloromethyl)-2-fluorobenzene is primarily used in the pharmaceutical industry for the production of certain drug intermediates. It also finds applications in the synthesis of materials for sensors and semiconductors. Due to its chemical reactivity, it is also employed in the polymer industry as a monomer or functionalizing agent.

What precautions should be taken when handling 1-Chloro-4-(chloromethyl)-2-fluorobenzene (CAS: 160658-68-4)?

When handling 1-Chloro-4-(chloromethyl)-2-fluorobenzene, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up carefully using appropriate absorbents, and the area should be thoroughly flushed with water. Always refer to the safety data sheet (SDS) for detailed handling and disposal instructions.