(Pentafluorophenyl)acetonitrile

Basic Information

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CAS Number

653-30-5

Molecular Formula

C8H2F5N

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

110°C

Density

1.61 g/mL at 25 °C

Water Solubility

Insoluble in water.

Flash Point

>230 °F

Refractive Index

n20/D 1.439(lit.)

SMILES

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

InChI

InChI=1S/C8H2F5N/c9-4-3(1-2-14)5(10)7(12)8(13)6(4)11/h1H2

InChIKey

YDNOJUAQBFXZCR-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

233

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

EINECS 211-498-6
InChI=1/C8H2F5N/c9-4-3(1-2-14)5(10)7(12)8(13)6(4)11/h1H2
2,3,4,5,6-pentafluorobenzyl cyanide
Benzeneacetonitrile, 2,3,4,5,6-pentafluoro-
(Pentafluorophenyl)acetonitrile
Pentafluorobenzeneacetonitrile
FT-0632757
P2244
A835066
653-30-5
NS00042272
YDNOJUAQBFXZCR-UHFFFAOYSA-
2,3,4,5,6-Pentafluorophenylacetonitrile, 99%
CHEMBL1977371
2-(Perfluorophenyl)acetonitrile
C13401
NCI60_004873
Pentafluorophenylacetonitrile
MFCD00013814
2-(2,3,4,5,6-pentafluorophenyl)acetonitrile
2,3,4,5,6-Pentafluorophenylacetonitrile;Pentafluorophenylacetonitrile
(2,3,4,5,6-Pentafluorophenyl)acetonitrile
NSC612875
AKOS009157027
FS-4263
2,3,4,5,6-Pentafluorophenylacetonitrile
UNII-L3H6KE6UX6
2-(2,3,4,5,6-pentafluoro-phenyl)-acetonitrile
NSC-612875
SCHEMBL1020839
NSC 612875

MDL Number

MFCD00013814

Customs Code

2926909090

FAQ

What are the physical and chemical properties of (Pentafluorophenyl)acetonitrile (CAS: 653-30-5)?

(Pentafluorophenyl)acetonitrile (CAS: 653-30-5) is a colorless or light yellow liquid with a molecular weight of 292.13 g/mol. It has a high boiling point and low solubility in water. The compound is moderately reactive, especially towards nucleophiles, and is used in organic synthesis and as a reagent in various applications.

How is (Pentafluorophenyl)acetonitrile (CAS: 653-30-5) typically synthesized?

(Pentafluorophenyl)acetonitrile is typically synthesized by the reaction of pentafluorophenol with hydrogen cyanide or its derivatives. The process often involves the use of a Lewis acid catalyst and proceeds with good selectivity and yield, making it a useful intermediate in organic synthesis.

What industries use (Pentafluorophenyl)acetonitrile (CAS: 653-30-5)?

(Pentafluorophenyl)acetonitrile (CAS: 653-30-5) is used in pharmaceuticals for the synthesis of certain drugs, in polymers as a monomer or additive, and in chemical sensors for detecting specific analytes. It is also utilized in semiconductor manufacturing as a cleaning agent.

What precautions should be taken when handling (Pentafluorophenyl)acetonitrile (CAS: 653-30-5)?

When handling (Pentafluorophenyl)acetonitrile (CAS: 653-30-5), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated environment or fume hood. Spills should be handled carefully with a spill kit, and the material safety data sheet (MSDS) should be consulted for detailed safety information.