ChemicalBook--->CAS DataBase List--->143782-23-4

143782-23-4

143782-23-4 Structure

143782-23-4 Structure
IdentificationBack Directory
[Name]

3-Fluoro-4-methylphenylisothiocyanate
[CAS]

143782-23-4
[Synonyms]

EZ-S3
D3-EZ-S2
4-Isothiocyanato-2
Enzalutamide Impurity Z
Enzalutamide Impurity 21
Enzalutamide Impurity N7
Enzalutamide intermediate
-Fluoro-4-methylphenylisothiocyanate
4-isothiocyano-2 -(trixenon methyl) benzol
Isothiocyanato-2-(trifluoromethyl)benzonitrile
4-cyano-3-trifluoromenthylphenylisothiocyanate
4-isothiocyanato-2-(trifluoroMethyl)benzonitrile
4-Isothiocvanato-2-(trifluoromethyl)benzonitrile
4-isothiocyano-2 - (trifluoromethyl) benzonitrile
Benzonitrile,4-isothiocyanato-2-(trifluoroMethyl)-
4-isothiocyananto-2-(trifluoromethyl) benzonitrile
4-isothiocyanoyl-2 - (trifluoromethyl) benzonitrile
3. 4-Isothiocyanato-2-(trifluoroMethyl)benzonitrile
4-Cyano-3-(trifluoromethyl)phenylIsothiocyanate,98%
4-isothiolamino-2-(trifluoromethyl)benzene Melonitrile
Isothiocyanic Acid 4-Cyano-3-(trifluoromethyl)phenyl Ester
4-cyano-3-trifluoromenthylphenylisothiocyaChemicalbooknate
4-Isothiocyanato-2-(trifluoromethyl)benzonitrile,Enzalutamide intermediate
4-ISOTHIOCYANATO-2-(TRIFLUOROMETHYL)BENZONITRILE (CAS : 143782-23-4) (intermediate of Enzalutamide)
4-ISOTHIOCYANATO-2-(TRIFLUOROMETHYL)BENZONITRILE/4-CYANO-3-TRIFLUOROMETHYLPHENYLISOTHIOCYANATE /CAS NO: 143782-23-4
Benzonitrile 4-Isothiocyanato-2-trifluoromethyl-2-fluoro-4-isothiocyanato1-methylbenzeneQ: What is Benzonitrile 4-Isothiocyanato-2-trifluoromethyl-2-fluoro-4-isothiocyanato1-methylbenzene Q: What is the CAS Number of Benzonitrile 4-Isothiocyanato-2-trifluoromethyl-2-fluoro-4-isothiocyanato1-methylbenzene Q: What is the storage condition of Benzonitrile 4-Isothiocyanato-2-trifluoromethyl-2-fluoro-4-isothiocyanato1-methylbenzene Q: What are the applications of Benzonitrile 4-Isothiocyanato-2-trifluoromethyl-2-fluoro-4-isothiocyanato1-methylbenzene
[EINECS(EC#)]

1592732-453-0
[Molecular Formula]

C9H3F3N2S
[MDL Number]

MFCD00046799
[MOL File]

143782-23-4.mol
[Molecular Weight]

228.194
Chemical PropertiesBack Directory
[Melting point ]

39.0 to 43.0 °C
[Boiling point ]

331℃
[density ]

1.31
[Fp ]

154℃
[storage temp. ]

Inert atmosphere, 2-8°C
[solubility ]

Chloroform (Sparingly), DMSO (Sparingly), Methanol (Slightly)
[form ]

powder to lump
[color ]

White to Yellow to Green
[Stability:]

Hygroscopic, Moisture sensitive
[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
[SMILES]

C(#N)C1=CC=C(N=C=S)C=C1C(F)(F)F
[CAS DataBase Reference]

143782-23-4
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H227
[Precautionary statements ]

P501-P210-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P403+P235
[RIDADR ]

UN3439
[HazardClass ]

6.1
[HS Code ]

2929100090
Hazard InformationBack Directory
[Uses]

4-Isothiocyanoyl-2-(trifluoromethyl)benzonitrile is a reagent used to synthesize thioimidazolinone compounds and is a potential anti-prostate cancer drug. It is also used as an intermediate of enzalutamide.
[Hazard]

4-Isothiocyanato-2-(trifluoromethyl)benzonitrile is harmful when taken orally or in contact with the skin. It is irritating to the eyes and skin, and may cause allergic skin reactions; inhalation may cause respiratory irritation, allergic reactions, asthma symptoms or breathing difficulties.
[Synthesis]

Synthesis_143782-23-4
4-Amino-2-trifluoromethylbenzonitrile, (2.23 g, 12 mmol) was added portionwise over15 minutes into the well-stirred heterogeneous mixture of thiophosgene (1 ml, 13 mmol) in water (22 ml) at room temperature. Stirring was continued for an additional 1 h. The reaction medium was extracted with chloroform (3 x 15 ml). The combined organic phase was dried over MgSO4 and evaporated to dryness under reduced pressure to yield desired product, 4-isothiocyanato-2-trifluoromethylbenzonitrile, (Ia), as brownish solid and was used as such for the next step (2.72 g, 11.9 mmol, 99%).
Spectrum DetailBack Directory
[Spectrum Detail]

4-isothiocyanato-2-(trifluoroMethyl)benzonitrile(143782-23-4)1HNMR
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