4-(Trifluoromethyl)benzonitrile

Basic Information

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CAS Number

455-18-5

Molecular Formula

C8H4F3N

Molecular Weight

171.12 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

39-41 °C

Boiling Point

81°C/20mmHg

Refractive Index

n20/D 1.4583(lit.)

SMILES

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

InChI

InChI=1S/C8H4F3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4H

InChIKey

DRNJIKRLQJRKMM-UHFFFAOYSA-N

LogP

2.57708

Complexity

192

Safety Information

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GHS Hazard Pictograms

H228

H302

H312

H332

Hazard Statement

H228 Flammable solid
Flammable solids

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H332 Harmful if inhaled
Acute toxicity, inhalation

Hazard Class

Class 4.1 Class 4.1

Sensitiveness

Lachrymatory

Synonyms & References

English

F0001-1230
MFCD00001826
p-Tolunitrile, .alpha.,.alpha.,.alpha.-trifluoro-
4-Trifluoromethylbenzonitrile (alpha,alpha,alpha-Trifluoro-p-tolunitrile)
NS00042994
A,A,A-TRIFLUORO-P-TOLUNITRILE
EINECS 207-239-1
p-Tolunitrile, alpha,alpha,alpha-trifluoro-
alpha,alpha,alpha-Trifluoro-4-toluonitrile
NSC88340
Benzonitrile, 4-trifluoromethyl-
Z57899964
A7168
p-Tolunitrile,.alpha.,.alpha.-trifluoro-
BTVMVCIFEGIJBE-UHFFFAOYSA-N
alpha,alpha,alpha-Trifluoro-p-tolunitrile
4-Trifluoromethylbenzoic acid nitrile
Benzonitrile, 4-(trifluoromethyl)-
CS-W001930
SCHEMBL524351
DTXSID5060015
4-(Trifluoromethyl)benzonitrile, 99%
p-(Trifluoromethyl)benzonitrile
.alpha.,.alpha.,.alpha.-Trifluoro-p-toluonitrile
UNII-XZK6HN6CLT
PS-8691
AKOS008968242
AM61543
EN300-79421
455-18-5
4-trifluoromethyl benzonitrile

MDL Number

MFCD00001826

Customs Code

29269095

FAQ

What is 4-(Trifluoromethyl)benzonitrile (CAS: 455-18-5)?

4-(Trifluoromethyl)benzonitrile is an organic compound with the chemical formula C8H5F3N. It is a colorless liquid with a characteristic aromatic odor. The compound contains a trifluoromethyl group attached to a benzene ring with a nitrile functional group, making it highly reactive and useful in various chemical applications. It is commonly used as an intermediate in the synthesis of pharmaceuticals and other fine chemicals.

What are the main uses of 4-(Trifluoromethyl)benzonitrile (CAS: 455-18-5)?

4-(Trifluoromethyl)benzonitrile is widely used in pharmaceutical research for the development of drugs targeting neurological and metabolic disorders. It also serves as an industrial chemical in the production of agrochemicals and polymers. Its unique chemical structure makes it valuable in organic synthesis and for creating fluorinated compounds with enhanced properties.

Is 4-(Trifluoromethyl)benzonitrile (CAS: 455-18-5) safe?

4-(Trifluoromethyl)benzonitrile is considered toxic and should be handled with care. It can cause skin and eye irritation, and inhalation may lead to respiratory issues. Safety standards recommend using appropriate personal protective equipment (PPE), such as gloves and goggles, and working in well-ventilated areas. It is classified as a hazardous substance under various chemical safety regulations.

How should 4-(Trifluoromethyl)benzonitrile (CAS: 455-18-5) be stored?

4-(Trifluoromethyl)benzonitrile should be stored in a cool, dry, and well-ventilated area, away from light and moisture. It is best kept in a sealed, glass or stainless steel container to maintain stability. Storage conditions should be below 25°C to prevent degradation, and it should be kept away from incompatible substances to ensure safety.