1-Chloro-2-fluoro-4-methylbenzene

Basic Information

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CAS Number

5527-94-6

Molecular Formula

C7H6ClF

Molecular Weight

144.58 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Boiling Point

166.7℃ at 760 mmHg

Flash Point

54.8℃

Refractive Index

1.502

SMILES

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CC1=CC(=C(C=C1)Cl)F

InChI

InChI=1S/C7H6ClF/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3

InChIKey

MHXNHUSVBYUTJL-UHFFFAOYSA-N

LogP

2.7875200000000016

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

94.9

Safety Information

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Hazard Statement

Hazard Class

Class 3 Class 3

Synonyms & References

English

AC-7434
3-fluoro-4-chloro toluene
Benzene,1-chloro-2-fluoro-4-methyl-
SY013910
3-Fluoro-4-chlorotoluene;4-Chloro-3-fluorotoluene
Benzene, 1-chloro-2-fluoro-4-methyl-
SCHEMBL170493
3-Fluoro-4-chlorotoluene
AM62029
4-Chloro-3-fluorotoluene
A1733
MFCD00143295
MHXNHUSVBYUTJL-UHFFFAOYSA-N
5527-94-6
GS-3650
DTXSID00371464
CS-W002425
AKOS005063637
FT-0635763
1-chloro-2-fluoro-4-methylbenzene
EN300-109502
3-Fluoro-4-Chlorotoluene
C7H6ClF
2-fluoro-4-methylchlorobenzene
1-chloro-2-fluoro-4-methyl-benzene
PubChem1611
KSC493O2L
EBD49438
SBB086381
AS02760
VZ28759

MDL Number

MFCD00143295

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 1-Chloro-2-fluoro-4-methylbenzene (CAS: 5527-94-6)?

1-Chloro-2-fluoro-4-methylbenzene (CAS: 5527-94-6) is a crystalline solid with a molecular weight of approximately 162.58 g/mol. It has a low solubility in water but is more soluble in organic solvents like benzene and dichloromethane. Chemically, it is reactive towards nucleophiles and electrophiles, making it useful in various synthetic transformations. The compound is stable under normal conditions but should be stored in a dry, cool place away from direct sunlight.

How is 1-Chloro-2-fluoro-4-methylbenzene (CAS: 5527-94-6) typically synthesized?

1-Chloro-2-fluoro-4-methylbenzene (CAS: 5527-94-6) is typically synthesized via a Friedel-Crafts alkylation of 2-fluoro-4-methylbenzene with chlorine gas in the presence of a Lewis acid catalyst such as aluminum chloride. The reaction is carried out under anhydrous conditions to avoid side reactions. The yield and selectivity of the reaction are influenced by the purity of reactants and the reaction conditions.

What industries use 1-Chloro-2-fluoro-4-methylbenzene (CAS: 5527-94-6)?

1-Chloro-2-fluoro-4-methylbenzene (CAS: 5527-94-6) is used in the pharmaceutical industry for the synthesis of certain intermediates and active pharmaceutical ingredients (APIs). It is also utilized in the polymer industry for the production of specialty polymers and in the electronics sector for the manufacturing of semiconductors and sensors. Its versatility in organic synthesis makes it a valuable compound in chemical research and development.

What precautions should be taken when handling 1-Chloro-2-fluoro-4-methylbenzene (CAS: 5527-94-6)?

When handling 1-Chloro-2-fluoro-4-methylbenzene (CAS: 5527-94-6), it is crucial to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The substance should be stored in a cool, dry place away from direct sunlight and incompatible materials. Spills should be cleaned up using appropriate methods, and the area should be well-ventilated. It is advisable to refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.