Pentafluorobenzonitrile

Basic Information

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CAS Number

773-82-0

Molecular Formula

C7F5N

Molecular Weight

193.07 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

0°C

Boiling Point

162°C

Density

1.532 g/mL at 25 °C

Refractive Index

n20/D 1.442(lit.)

SMILES

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

InChI

InChI=1S/C7F5N/c8-3-2(1-13)4(9)6(11)7(12)5(3)10

InChIKey

YXWJGZQOGXGSSC-UHFFFAOYSA-N

LogP

2.25378

Complexity

220

Safety Information

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GHS Hazard Pictograms

H226

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

Hazard Class

Class 3 Class 3

Synonyms & References

English

MFCD00001775
Pentafluorocyanobenzene
Perfluorobenzonitrile
NSC88294
GEO-03210
2,3,4,5,6-pentafluoro benzonitrile
SCHEMBL250738
CS-W010695
NS00042193
InChI=1/C7F5N/c8-3-2(1-13)4(9)6(11)7(12)5(3)10
NSC-88294
FT-0632935
Q63396417
Pentafluorobenzonitrile
2,3,4,5,6-Pentafluorobenzonitrile
DTXSID9061126
Benzonitrile, 2,3,4,5,6-pentafluoro-
A9796
GS-3188
EN300-116183
AMY12529
Cyanopentafluorobenzene
YXWJGZQOGXGSSC-UHFFFAOYSA-
68CN7ME67X
NSC 88294
W-104319
NCIOpen2_001325
Benzonitrile, pentafluoro-
UNII-68CN7ME67X
2,3,4,5,6-Pentafluorobenzonitrile, 99%
EINECS 212-259-9

MDL Number

MFCD00001775

Customs Code

29269095

FAQ

What is Pentafluorobenzonitrile (CAS: 773-82-0)?

Pentafluorobenzonitrile is a synthetic organic compound with the chemical formula C6HFN5. It is a colorless liquid with a high boiling point and is known for its strong electron-withdrawing properties due to the presence of five fluorine atoms and a nitrile group. This compound is commonly used in chemical synthesis and is characterized by its stability and reactivity under specific conditions.

What are the main uses of Pentafluorobenzonitrile (CAS: 773-82-0)?

Pentafluorobenzonitrile is primarily used in pharmaceutical research as a building block for drug development. It also finds applications in organic synthesis, material science, and as a precursor for fluorinated compounds. Its unique chemical structure makes it valuable in the production of specialty chemicals and in the development of new technologies in various industries.

Is Pentafluorobenzonitrile (CAS: 773-82-0) safe?

Pentafluorobenzonitrile is considered toxic and should be handled with care. It can cause irritation to the skin, eyes, and respiratory system. Safety standards recommend proper ventilation, use of personal protective equipment, and adherence to chemical safety guidelines to minimize exposure and ensure safe handling in laboratory and industrial settings.

How should Pentafluorobenzonitrile (CAS: 773-82-0) be stored?

Pentafluorobenzonitrile should be stored in a cool, dry, and well-ventilated place, away from light. It is best kept in a sealed, non-reactive container such as a glass or stainless steel vessel. Storage conditions should maintain a temperature below 25°C and ensure low humidity to preserve stability and prevent decomposition.