4-Fluoro-3-(trifluoromethyl)benzonitrile

Basic Information

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CAS Number

67515-59-7

Molecular Formula

C8H3F4N

Molecular Weight

189.11 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

66.0 to 70.0 deg-C

Boiling Point

194 ºC

Density

1.4

Water Solubility

Insoluble in water.

Flash Point

193-195℃

Refractive Index

0.44

SMILES

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C1=CC(=C(C=C1C#N)C(F)(F)F)F

InChI

InChI=1S/C8H3F4N/c9-7-2-1-5(4-13)3-6(7)8(10,11)12/h1-3H

InChIKey

CQZQCORFYSSCFY-UHFFFAOYSA-N

LogP

2.71618

Complexity

226

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

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

3-Trifluoromethyl-4-fluorobenzonitrile
SY006745
67515-59-7
FT-0727509
4-Fluoro-3-(trifluoromethyl)benzonitrile, AldrichCPR
4-Fluoro-3-trifluoromethyl benzonitrile
4-Fluoro-3-trifluoromethyl-benzonitrile
FT-0618470
AB02413
AC-4095
4-fluoro-3-(trifluoromethyl)-benzonitrile
4-fluoro-3-trifluoromethylbenzonitrile
4-Fluoro-3-(trifluoromethyl)benzonitrile
4-fluoro-3-tri-fluoromethylbenzonitrile
CS-W015971
A1771
DTXSID60217859
3-trifluoromethyl 4-fluoro-benzonitrile
EN300-114576
MFCD00061284
Benzonitrile, 4-fluoro-3-(trifluoromethyl)-
SCHEMBL185191
AM20040997
PS-8416
AKOS005254945
CK2148
F0979
5-cyano-2-fluorobenzotrifluoride
3-(TRIFLUOROMETHYL)-4-FLUOROBENZONITRILE
5-CYANO-2-FLUOROBENZOTRIFLUORIDE
BUTTPARK 45\01-76

MDL Number

MFCD00061284

Customs Code

2926909090

FAQ

What are the physical and chemical properties of 4-Fluoro-3-(trifluoromethyl)benzonitrile (CAS: 67515-59-7)?

4-Fluoro-3-(trifluoromethyl)benzonitrile (CAS: 67515-59-7) is a crystalline solid with a molecular weight of approximately 260.07 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetonitrile. The compound is relatively stable but can undergo hydrolysis under basic conditions. It is a strong electrophile and can undergo nucleophilic substitution reactions.

How is 4-Fluoro-3-(trifluoromethyl)benzonitrile (CAS: 67515-59-7) typically synthesized?

4-Fluoro-3-(trifluoromethyl)benzonitrile can be synthesized via a Friedel-Crafts alkylation of 3-(trifluoromethyl)benzonitrile with fluoroalkyl halides. The reaction typically requires the use of a Lewis acid catalyst, such as aluminum chloride, and is carried out in a suitable organic solvent. The yield is generally good, with selectivity towards the desired product.

What industries use 4-Fluoro-3-(trifluoromethyl)benzonitrile (CAS: 67515-59-7)?

4-Fluoro-3-(trifluoromethyl)benzonitrile is used in various industries, including pharmaceuticals for the synthesis of certain drugs, and in the production of polymers and monomers. It also finds applications in sensor technology and as a building block in semiconductor manufacturing processes.

What precautions should be taken when handling 4-Fluoro-3-(trifluoromethyl)benzonitrile (CAS: 67515-59-7)?

Proper handling of 4-Fluoro-3-(trifluoromethyl)benzonitrile requires the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up carefully using absorbent materials, and the area should be washed down. Always refer to the Safety Data Sheet (SDS) for detailed safety information.