2-Chloro-1-fluoro-4-(trifluoromethyl)benzene

Basic Information

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CAS Number

78068-85-6

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

136.8℃ at 760 mmHg

Density

1.490

Flash Point

42.2℃

Refractive Index

1.4355

SMILES

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C1=CC(=C(C=C1C(F)(F)F)Cl)F

InChI

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

InChIKey

BKHVEYHSOXVAOP-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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GHS Hazard Pictograms

H226

H315

H319

H335

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

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 IRRITANT Class IRRITANT

Synonyms & References

English

Benzene, 2-chloro-1-fluoro-4-(trifluoromethyl)-
3-chloro-4-fluoro benzotrifluoride
3-Chloro-alpha,alpha,alpha,4-tetrafluorotoluene
EN300-315783
MFCD00042207
1-chloro-2-fluoro-5-(trifluoromethyl)benzene
AM62104
A9846
DTXSID1074884
3-chloro-4-fluoro-1-(trifluoromethyl)benzene
3-Chloro-4-fluorobenzotrifluoride
AKOS005255545
AC-4126
78068-85-6
2-chloro-1-fluoro-4-(trifluoromethyl)benzene
3-chloro-4-fluoro-alpha,alpha,alpha-trifluorotoluene
3-Cholor-4-fluorobenzo-trifluoride
3-chloro-4-fluoro-benzotrifluoride
CS-W002201
NS00009358
SCHEMBL230800
FT-0615388
3-chloro-4-fluoro-benzo trifluoride
2-chloro-4-trifluoromethylfluorobenzene
2-Clor-1-fluor-4-(trifluormethyl)bezol
3-chloro-4-chlorobenzotrifluoride
3-chloro-4-fluorobenzontrifluoride
3-chloro-4-fluorobezotrilfuoride
3-Cholor-4-Fluorobenzo-Trifluori
3-CHOLOR-4-FLUOROBENZO-TRIFLUORIDE
4-Fluoro-3-chlorobenzotrifluoride

MDL Number

MFCD00042207

Customs Code

2903999090

FAQ

What is 2-Chloro-1-fluoro-4-(trifluoromethyl)benzene (CAS: 78068-85-6)?

2-Chloro-1-fluoro-4-(trifluoromethyl)benzene (CAS: 78068-85-6) is an aromatic compound with the chemical formula C7H4ClF3. It features a benzene ring substituted with a chloro group, a fluoro group, and a trifluoromethyl group. This compound is a colorless solid with low solubility in water and moderate solubility in organic solvents. Its physical properties include a high melting point and stability under normal conditions, making it a valuable intermediate in chemical synthesis.

What are the main uses of 2-Chloro-1-fluoro-4-(trifluoromethyl)benzene (CAS: 78068-85-6)?

2-Chloro-1-fluoro-4-(trifluoromethyl)benzene (CAS: 78068-85-6) is primarily used in pharmaceuticals as a precursor for drug development, particularly in creating compounds with improved metabolic stability. It also finds applications in industrial processes for fluorinated material synthesis and in agrochemicals for pesticide formulations. Additionally, it serves as a key intermediate in organic research for functional group modifications and chemical innovation.

Is 2-Chloro-1-fluoro-4-(trifluoromethyl)benzene (CAS: 78068-85-6) safe?

Safety precautions are essential when handling 2-Chloro-1-fluoro-4-(trifluoromethyl)benzene (CAS: 78068-85-6). It is classified as a hazardous substance due to potential toxicity, requiring proper ventilation and PPE such as gloves and goggles. While it is not highly toxic, exposure should be minimized. Compliance with safety standards, including storage and disposal guidelines, is critical to ensure workplace and environmental safety.

How should 2-Chloro-1-fluoro-4-(trifluoromethyl)benzene (CAS: 78068-85-6) be stored?

2-Chloro-1-fluoro-4-(trifluoromethyl)benzene (CAS: 78068-85-6) should be stored in a cool, dry, and dark environment to maintain stability. It is best kept at temperatures below 25°C and in airtight containers made of inert materials to prevent moisture and air exposure. Avoiding light and incompatible substances is crucial, and storage should follow chemical safety guidelines to ensure long-term integrity.