4-Isothiocyanato-2-(trifluoromethyl)benzonitrile

Basic Information

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CAS Number

143782-23-4

Molecular Formula

C9H3F3N2S

Molecular Weight

217.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

No data available

Melting Point

39.0 to 43.0 deg-C

Boiling Point

331 ºC

Density

1.31

Flash Point

154 ºC

SMILES

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C1=CC(=C(C=C1N=C=S)C(F)(F)F)C#N

InChI

InChI=1S/C9H3F3N2S/c10-9(11,12)8-3-7(14-5-15)2-1-6(8)4-13/h1-3H

InChIKey

TYXKOMAQTWRDCR-UHFFFAOYSA-N

LogP

3.748120000000001

Topological Polar Surface Area

12.36 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

324

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

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

AKOS014821555
EN300-6736481
AC-31313
4-isothiocyanato-2-trifluoromethyl benzonitrile
4-Isothiocyanato-2-trifluoromethyl-benzonitrile
2-(trifluoromethyl)-4-isothiocyanatobenzonitrile
UNII-HP6388MX6K
4-isothiocyanato 2-(triflouromethyl)-benzonitrile
Benzonitrile, 4-isothiocyanato-2-(trifluoromethyl)-
AS-10208
EC 700-928-2
4-cyano-3-trifluoromethylphenylisothiocyanate
AMY36836
I0987
MFCD09800709
Isothiocyanic Acid 4-Cyano-3-(trifluoromethyl)phenyl Ester
4-isothiocyanato-2-trifluoromethylbenzonitrile
A850064
143782-23-4
SY039781
4-cyano-3-(trifluoromethyl)phenyl isothiocyanate
DTXSID80932097
4-Cyano-3-(trifluoromethyl)phenylisothiocyanate
HP6388MX6K
SCHEMBL189787
Enzalutamide Impurity 2
CS-M0346
4-isothiocyanato-2-(trifluoromethyl)benzonitrile
NS00006823
Benzonitrile,4-isothiocyanato-2-(trifluoromethyl)-
3-Fluoro-4-methylphenylisothiocyanate

MDL Number

MFCD09800709

Customs Code

2930909090

FAQ

What is 4-Isothiocyanato-2-(trifluoromethyl)benzonitrile (CAS: 143782-23-4)?

4-Isothiocyanato-2-(trifluoromethyl)benzonitrile is a chemical compound with the CAS number 143782-23-4. It has the chemical formula C9H3FN3S. This compound is known for its distinctive odor and is used in various applications due to its functional groups.

What are the main uses of 4-Isothiocyanato-2-(trifluoromethyl)benzonitrile (CAS: 143782-23-4)?

4-Isothiocyanato-2-(trifluoromethyl)benzonitrile is primarily used in research and development, specifically in the synthesis of pharmaceuticals and materials science. It serves as a building block for creating more complex organic molecules.

Is 4-Isothiocyanato-2-(trifluoromethyl)benzonitrile (CAS: 143782-23-4) safe?

4-Isothiocyanato-2-(trifluoromethyl)benzonitrile is considered safe when handled with appropriate precautions. It is slightly toxic, and exposure to eyes, skin, and inhalation should be avoided. Protective equipment such as gloves, goggles, and a lab coat are recommended. Follow all safety guidelines and work in a well-ventilated area.

How should 4-Isothiocyanato-2-(trifluoromethyl)benzonitrile (CAS: 143782-23-4) be stored?

4-Isothiocyanato-2-(trifluoromethyl)benzonitrile should be stored in a cool, dry place away from direct sunlight and heat sources. Keep it in a tightly sealed container to prevent contamination and degradation. Proper storage conditions are essential to maintain its stability and safety.