2,4,5-Trifluorobenzonitrile

Basic Information

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CAS Number

98349-22-5

Molecular Formula

C7H2F3N

Molecular Weight

157.09 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

168-170 ºC

Boiling Point

168-170 ºC

Density

1.373 g/mL at 25 °C

Refractive Index

n20/D 1.4736(lit.)

SMILES

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C1=C(C(=CC(=C1F)F)F)C#N

InChI

InChI=1S/C7H2F3N/c8-5-2-7(10)6(9)1-4(5)3-11/h1-2H

InChIKey

DLKNOGQOOZFICZ-UHFFFAOYSA-N

LogP

1.97558

Complexity

185

Safety Information

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Hazard Statement

H227 Combustible liquid
Flammable liquids

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

PS-10158
AM61707
InChI=1/C7H2F3N/c8-5-2-7(10)6(9)1-4(5)3-11/h1-2H
Benzonitrile, 2,4,5-trifluoro-
FT-0609806
PB47821
AKOS006221863
DLKNOGQOOZFICZ-UHFFFAOYSA-
2,4,5-trifluoro-benzonitrile
CS-W023161
MFCD00013289
SCHEMBL366972
98349-22-5
T2326
AC-4106
SY021880
2,4,5-Trifluorobenzonitrile
2,4,5-Trifluorobenzonitrile, 99%
DTXSID50344002
NS00121041
2,4,5-TriaminopyrimidineSulfate
J-507058
EN300-181544
2,4,5-trifluorophenylnitrile
3-flurophenol
Benzonitrile,2,4,5-trifluoro
DLKNOGQOOZFICZ-UHFFFAOYSA-N
2,4,5-trifluorobenzenecarbonitrile
PubChem1571
KSC488C2T
2,4,5-Trifluoro Benzonitrile

MDL Number

MFCD00013289

Customs Code

2926909090

FAQ

What are the physical and chemical properties of 2,4,5-Trifluorobenzonitrile (CAS: 98349-22-5)?

2,4,5-Trifluorobenzonitrile (CAS: 98349-22-5) is a colorless or light yellow liquid with a molecular weight of approximately 166.07 g/mol. It has a high boiling point and low solubility in water. This compound is known for its strong reactivity in nucleophilic substitution reactions and is less reactive towards electrophilic aromatic substitution due to the electron-withdrawing nature of the fluorine substituents.

How is 2,4,5-Trifluorobenzonitrile (CAS: 98349-22-5) typically synthesized?

2,4,5-Trifluorobenzonitrile (CAS: 98349-22-5) is commonly synthesized via the nitrilation of 2,4,5-trifluorobromobenzene using aqueous ammonia in the presence of a phase transfer catalyst. This method provides high yields and good selectivity, with the reaction typically requiring mild conditions to avoid over-nitrilation.

What industries use 2,4,5-Trifluorobenzonitrile (CAS: 98349-22-5)?

2,4,5-Trifluorobenzonitrile (CAS: 98349-22-5) finds applications in the pharmaceutical industry for the synthesis of intermediate compounds, in the polymer industry for the production of advanced materials, and in the semiconductor industry for the fabrication of electronic devices. It is also used in the development of sensors and as a precursor in other chemical processes.

What precautions should be taken when handling 2,4,5-Trifluorobenzonitrile (CAS: 98349-22-5)?

When handling 2,4,5-Trifluorobenzonitrile (CAS: 98349-22-5), it is essential to wear appropriate 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 prevent inhalation of fumes. Spills should be cleaned up immediately, and the material should be stored in a cool, dry place away from incompatible materials. Refer to the Safety Data Sheet (SDS) for detailed information and emergency response procedures.