4-Chloro-2-fluorobenzotrifluoride

Basic Information

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CAS Number

94444-59-4

Molecular Formula

C7H3ClF4

Molecular Weight

198.55 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

SMILES

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C1=CC(=C(C=C1Cl)F)C(F)(F)F

InChI

InChI=1S/C7H3ClF4/c8-4-1-2-5(6(9)3-4)7(10,11)12/h1-3H

InChIKey

VRVYSPQZUGVNKJ-UHFFFAOYSA-N

LogP

3.4979000000000005

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

156

Safety Information

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Hazard Statement

Synonyms & References

English

4-Chloro-2-fluoro-1-(trifluoromethyl)benzene
4-CHLORO-2-FLUOROBENZOTRIFLUORIDE
C7H3ClF4
4-Chloro-2-fluoro-1-(trifluoromethyl)benzene (ACI)
4-Chloro-2-fluorobenzotrifluoride
SCHEMBL3919252
DB-057502
AKOS015890019
MFCD03412199
DTXSID80557709
CS-0311866
J-514939
94444-59-4
PS-8237
4-chloro-2-fluoro-1-(trifluoromethyl)benzene
4-chloro-2-fluoro-1-(trifluoromethyl)benzene, 4-chloro-alpha,alpha,alpha-2-tetrafluorotoluene
Benzene, 4-chloro-2-fluoro-1-(trifluoromethyl)-
AC-4127
2-fluoro-4-chloro-1-trifluoromethyl-benzene

MDL Number

MFCD03412199

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 4-Chloro-2-fluorobenzotrifluoride (CAS: 94444-59-4)?

4-Chloro-2-fluorobenzotrifluoride is a crystalline solid with a molecular weight of 263.02 g/mol. It has low water solubility and high solubility in organic solvents. The compound is highly reactive towards nucleophiles and bases. It is a potent electrophile in organic synthesis.

How is 4-Chloro-2-fluorobenzotrifluoride (CAS: 94444-59-4) typically synthesized?

4-Chloro-2-fluorobenzotrifluoride is typically synthesized through the electrophilic fluorination of 4-chloro-2-fluorobenzonitrile using fluorine gas in the presence of a radical initiator. The reaction is highly exothermic and requires careful temperature control.

What industries use 4-Chloro-2-fluorobenzotrifluoride (CAS: 94444-59-4)?

4-Chloro-2-fluorobenzotrifluoride is used in the pharmaceutical industry for the synthesis of organic compounds and in the electronics industry for the production of semiconductors and sensors.

What precautions should be taken when handling 4-Chloro-2-fluorobenzotrifluoride (CAS: 94444-59-4)?

Handling 4-Chloro-2-fluorobenzotrifluoride requires the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The material should be stored in a tightly sealed container in a cool, well-ventilated area away from heat and ignition sources. In case of spill, the spill should be handled using appropriate safety measures and the material safety data sheet (MSDS) should be consulted.