3-(trifluoromethyl)benzonitrile

Basic Information

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CAS Number

368-77-4

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

16-20 °C

Boiling Point

189 °C

Refractive Index

n20/D 1.4575(lit.)

SMILES

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

InChI

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

InChIKey

OGOBINRVCUWLGN-UHFFFAOYSA-N

LogP

2.57708

Complexity

200

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

H402 Harmful to aquatic life
Hazardous to the aquatic environment, acute hazard

Hazard Class

Class 6.1 Class 6.1

Sensitiveness

Lachrymatory

Synonyms & References

English

UNII-Y7ZD7DK3AY
3-Trifluoromethylbenzonitrile
3-Trifluoromethylbenzonitrile (alpha,alpha,alpha-Trifluoro-m-tolunitrile)
EN300-17572
alpha,alpha,alpha-Trifluoro-m-toluonitrile
AM20040296
3-(Trifluoromethyl)benzonitrile
M-(TRIFLUOROMETHYL)CYANOBENZENE
PS-8692
3-trifluoromethyl-benzonitrile
W-106582
InChI=1/C8H4F3N/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4
Benzonitrile, 3-(trifluoromethyl)-
AKOS000119995
a,a,a-trifluoro-m-tolunitrile
HMS1760C17
F0001-1058
NCIOpen2_001287
M-TOLUNITRILE, .ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-
DTXSID4022026
m-(Trifluoromethyl)benzonitrile
a.a.a-Trifluoro-m-tolunitrile
NSC88314
NS00041455
CHEMBL4472512
.alpha.,.alpha.,.alpha.-Trifluoro-m-tolunitrile
3-Cyanobenzotrifluoride
Y7ZD7DK3AY
3-(Trifluoromethyl)benzonitrile, 99%
NSC-88314
3-(Trifluoromehyl)benzonitrile

MDL Number

MFCD00001807

Customs Code

29269095

FAQ

What is 3-(trifluoromethyl)benzonitrile (CAS: 368-77-4)?

3-(trifluoromethyl)benzonitrile (CAS: 368-77-4) is an organic compound with the molecular formula C₉H₅F₃CN. It is a colorless to yellow liquid with a density of about 1.31 g/cm³ and a boiling point of around 159°C. This compound is used in various applications including pharmaceuticals, dyes, and as a reagent in organic synthesis.

What are the main uses of 3-(trifluoromethyl)benzonitrile (CAS: 368-77-4)?

3-(trifluoromethyl)benzonitrile (CAS: 368-77-4) is primarily used in the pharmaceutical industry for synthesizing drugs, in the dye industry for producing specific colorants, and as a reagent in organic synthesis. It is also used in the production of intermediates for other chemicals.

Is 3-(trifluoromethyl)benzonitrile (CAS: 368-77-4) safe?

3-(trifluoromethyl)benzonitrile (CAS: 368-77-4) is generally safe when handled with proper precautions. It should be stored away from heat and open flames, and it should be kept in a well-ventilated area. Protective equipment such as gloves and goggles should be worn when handling this compound. Avoid skin and eye contact, and seek medical attention if exposed.

How should 3-(trifluoromethyl)benzonitrile (CAS: 368-77-4) be stored?

3-(trifluoromethyl)benzonitrile (CAS: 368-77-4) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container, preferably a glass or plastic container that is suitable for storing chemicals. Ensure good ventilation in the storage area to avoid the risk of fire or explosion.