CAS 23165-29-9

3,5-Bis(trifluoromethyl)phenyl isothiocyanate

Description:

3,5-Bis(trifluoromethyl)phenyl isothiocyanate is an organic compound characterized by the presence of both isothiocyanate and trifluoromethyl functional groups. Its molecular structure features a phenyl ring substituted at the 3 and 5 positions with two trifluoromethyl groups, which significantly enhance its electron-withdrawing properties. This compound is typically a colorless to pale yellow liquid or solid, depending on temperature and purity. It is known for its reactivity, particularly in nucleophilic substitution reactions, making it useful in organic synthesis and as a building block in the development of pharmaceuticals and agrochemicals. The trifluoromethyl groups contribute to its lipophilicity and stability, while the isothiocyanate group is known for its ability to form thioureas and other derivatives upon reaction with amines. Due to its unique properties, 3,5-Bis(trifluoromethyl)phenyl isothiocyanate is of interest in various fields, including medicinal chemistry and materials science. Safety precautions should be observed when handling this compound, as isothiocyanates can be irritants and potentially harmful.

Formula: C₉H₃F₆NS

InChI: InChI=1/C9H3F6NS/c10-8(11,12)5-1-6(9(13,14)15)3-7(2-5)16-4-17/h1-3H

SMILES: c1c(cc(cc1C(F)(F)F)N=C=S)C(F)(F)F

Synonyms:

• 1-Isothiocyanato-3,5-bis(trifluoromethyl)benzene
• 3,5-Di(Trifluoromethyl)Phenyl Isothiocyanate
• Benzene, 1-isothiocyanato-3,5-bis(trifluoromethyl)-
• 3,5-Bis(trifuoromethyl)phenyl isothiocyanate

3,5-Bis(trifluoromethyl)phenyl Isothiocyanate

CAS: 23165-29-9

Formula: C₉H₃F₆NS

Purity: >98.0%(GC)

Color and Shape: Colorless to Red to Green clear liquid

Molecular weight: 271.18

Ref: 3B-I0569

3,5-Bis(trifluoromethyl)phenyl isothiocyanate, 98%

CAS: 23165-29-9

It is used as an active pharmaceutical intermediate. This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not ch

Formula: C₉H₃F₆NS

Purity: 98%

Color and Shape: Liquid, Clear colorless to yellow

Molecular weight: 271.18

Ref: 02-B20206

Benzene, 1-isothiocyanato-3,5-bis(trifluoromethyl)-

CAS: 23165-29-9

Formula: C₉H₃F₆NS

Purity: 95%

Color and Shape: Liquid

Molecular weight: 271.1822

Ref: IN-DA002MF9

3,5-Bis(trifluoromethyl)phenyl isothiocyanate

CAS: 23165-29-9

3,5-Bis(trifluoromethyl)phenyl isothiocyanate

Formula: C₉H₃F₆NS

Purity: 97%

Color and Shape: clear. almost colourless liquid

Molecular weight: 271.18g/mol

Ref: 54-PC3115B

3,5-Bis(trifluoromethyl)phenyl isothiocyanate

CAS: 23165-29-9

Formula: C₉H₃F₆NS

Purity: 97%

Color and Shape: Solid, Clear

Molecular weight: 271.18

Ref: 10-F002558