Trifluoroacetonitrile

Basic Information

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CAS Number

353-85-5

Molecular Formula

C2F3N

Molecular Weight

84.04 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Specialty Chemicals UV Stabilizers

Electronic Chemicals Semiconductor Materials Etchants

Water Treatment Chemicals Disinfectants Chlorine Compounds

Basic Physical Properties

Melting Point

-144.42°C

Boiling Point

-64 °C

SMILES

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C(#N)C(F)(F)F

InChI

InChI=1S/C2F3N/c3-2(4,5)1-6

InChIKey

SFFUEHODRAXXIA-UHFFFAOYSA-N

LogP

1.5685999999999998

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

82.7

Safety Information

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Hazard Statement

Hazard Class

Class GAS Class GAS

Class TOXIC Class TOXIC

Synonyms & References

English

2,2,2-trifluoroacetonitrile
Cyanotrifluoromethane
DTXSID1059862
C2F3N
Acetonitrile, 2,2,2-trifluoro-
Trifluoroacetonitrile, 99%
trifluoroethanenitrile
AKOS005258524
NS00041426
353-85-5
EINECS 206-542-6
CF3CN
Trifluoroacetonitrile
Acetonitrile, trifluoro-
MFCD00039478
Q31835495
trifluoroaceto-nitrile
trifluoroacetonitrile
Acetonitrile,trifluoro
perfluoroacetonitrile
trichloroacetonitrile
Trifluor-acetonitril
trifluoro(1-14c)acetonitrile
trifluoro(2-14c)acetonitrile
Acetonitrile,trifluoro- (6CI,8CI,9CI)
Trifluoromethyl cyanide
Trifluoromethylcarbonitrile

MDL Number

MFCD00039478

Customs Code

2926909090

FAQ

What are the physical and chemical properties of Trifluoroacetonitrile (CAS: 353-85-5)?

Trifluoroacetonitrile (CAS: 353-85-5) is a colorless, fuming liquid with a molecular weight of approximately 132.06 g/mol. It has a high boiling point of 63.7°C and is moderately soluble in water. This compound is highly reactive, particularly towards nucleophiles and bases, making it important in organic synthesis. It is also known for its ability to form hydrogen bonds, which contribute to its physical properties.

How is Trifluoroacetonitrile (CAS: 353-85-5) typically synthesized?

Trifluoroacetonitrile (CAS: 353-85-5) is typically synthesized by the radical addition of trifluoroacetic acid to acetonitrile. This reaction can be catalyzed by UV light or other initiators. The process is highly selective and generally yields a purifiable product. Other methods include the fluoride-mediated reaction of acetonitrile with trifluoroacetic anhydride, although this route is less common.

What industries use Trifluoroacetonitrile (CAS: 353-85-5)?

Trifluoroacetonitrile (CAS: 353-85-5) is primarily used in the pharmaceutical industry for the synthesis of certain drugs, particularly those requiring fluorine atoms. It is also utilized in the polymer industry for the preparation of functionalized polymers. Additionally, it finds applications in sensor technology and semiconductor manufacturing due to its reactivity and ability to form stable complexes.

What precautions should be taken when handling Trifluoroacetonitrile (CAS: 353-85-5)?

When handling Trifluoroacetonitrile (CAS: 353-85-5), it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be used in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up using appropriate absorbents and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal information.