5-Chloro-2-fluorobenzotrifluoride

Basic Information

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CAS Number

89634-74-2

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

Boiling Point

145.3±35.0 ºC (760 Torr),

Density

1.427±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

46.9±19.4 ºC,

Solubility

Insuluble (5.2E-3 g/L) (25 ºC),

Refractive Index

1.437

SMILES

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

InChI

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

InChIKey

PFLGDQIWYTWKCM-UHFFFAOYSA-N

LogP

3.4978999999999996

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

156

Safety Information

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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 3 Class 3

Synonyms & References

English

4-Chloro-1-fluoro-2-(trifluoromethyl)benzene
5-Chloro-2-fluorobenzotrifluoride,
2-Fluoro-5-chlorobenzotrifluoride
5-CHLORO-2-FLUORO(TRIFLUOROMETHYL)BENZENE
4-Chloro-1-fluoro-2-(trifluoromethyl)benzene (ACI)
5-Chloro-2-fluorobenzotrifluoride
DTXSID20544916
BBL102210
STL556009
AKOS005255765
CS-0022411
89634-74-2
Benzene, 4-chloro-1-fluoro-2-(trifluoromethyl)-
AS-17250
MFCD00060655
2-fluoro-5-chlorobenzotrifluoride
C3317
SCHEMBL657298
5-chloro-2-fluoro(trifluoromethyl)benzene

MDL Number

MFCD00060655

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 5-Chloro-2-fluorobenzotrifluoride (CAS: 89634-74-2)?

5-Chloro-2-fluorobenzotrifluoride is a white crystalline solid with a molecular weight of 261.02 g/mol. It has low solubility in water but is soluble in common organic solvents. It is highly reactive due to the presence of fluorine atoms. The compound is known for its high reactivity in nucleophilic substitution reactions.

How is 5-Chloro-2-fluorobenzotrifluoride (CAS: 89634-74-2) typically synthesized?

5-Chloro-2-fluorobenzotrifluoride is typically synthesized through the reaction of 2-fluorobenzamide with thionyl chloride followed by trifluoromethylation. The reaction often requires a catalyst and proceeds with high selectivity, yielding pure product with a good yield.

What industries use 5-Chloro-2-fluorobenzotrifluoride (CAS: 89634-74-2)?

5-Chloro-2-fluorobenzotrifluoride is used in the pharmaceutical industry for the synthesis of certain drugs, particularly those that require fluorine substitution. It is also utilized in the polymer industry for the production of fluorinated polymers and in the semiconductor industry for etching processes.

What precautions should be taken when handling 5-Chloro-2-fluorobenzotrifluoride (CAS: 89634-74-2)?

When handling 5-Chloro-2-fluorobenzotrifluoride, appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. Work should be conducted in a well-ventilated fume hood. Spills should be handled with caution using appropriate absorbents, and the material safety data sheet (MSDS) should be consulted for detailed spill procedures. Storage should be in a cool, dry place away from incompatible materials.