CAS 312-21-0

4-[(Trifluoromethyl)sulfonyl]benzonitrile

Description:

4-[(Trifluoromethyl)sulfonyl]benzonitrile, with the CAS number 312-21-0, is an organic compound characterized by the presence of a benzonitrile moiety substituted with a trifluoromethylsulfonyl group. This compound typically appears as a solid and is known for its high stability and low volatility. The trifluoromethyl group contributes to its lipophilicity and can enhance its reactivity in various chemical reactions, particularly in nucleophilic substitutions. The sulfonyl group imparts significant polar characteristics, making the compound soluble in polar organic solvents. It is often utilized in the synthesis of pharmaceuticals and agrochemicals due to its ability to act as a versatile building block in organic synthesis. Additionally, the presence of both the nitrile and sulfonyl functionalities can influence its electronic properties, making it a subject of interest in materials science and medicinal chemistry. Safety data indicates that, like many sulfonyl compounds, it should be handled with care due to potential toxicity and environmental impact.

Formula: C₈H₄F₃NO₂S

InChI: InChI=1S/C8H4F3NO2S/c9-8(10,11)15(13,14)7-3-1-6(5-12)2-4-7/h1-4H

InChI key: InChIKey=UHCGSMMNICMDIX-UHFFFAOYSA-N

SMILES: S(C(F)(F)F)(=O)(=O)C1=CC=C(C#N)C=C1

Synonyms:

• 4-(Trifluoromethanesulfonyl)benzonitrile
• 4-(Trifluoromethylsulphonyl)benzonitrile
• 4-Cyanophenyl trifluoromethyl sulfone
• 4-Cyanophenyl trifluoromethyl sulphone
• 4-[(Trifluoromethyl)sulfonyl]benzonitrile
• Benzonitrile, 4-[(trifluoromethyl)sulfonyl]-
• 4-(Trifluoromethylsulfonyl)benzonitrile

4-(Trifluoromethylsulfonyl)benzonitrile, 97+%

CAS: 312-21-0

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 changed as a part of the brand transition to Thermo Sci

Formula: C₈H₄F₃NO₂S

Purity: 97+%

Color and Shape: Crystals or powder or crystalline powder, Cream

Molecular weight: 235.18

Ref: 02-B22907

4-(TRIFLUOROMETHYLSULFONYL)BENZONITRILE

CAS: 312-21-0

Formula: C₈H₄F₃NO₂S

Purity: 98%

Color and Shape: Solid

Molecular weight: 235.1831

Ref: IN-DA003KC4

4-[(Trifluoromethyl)sulphonyl]benzonitrile

CAS: 312-21-0

4-[(Trifluoromethyl)sulphonyl]benzonitrile

Purity: ≥95%

Color and Shape: White To Beige Powder

Molecular weight: 235.18g/mol

Ref: 54-PC0520

4-(Trifluoromethyl)sulphonylbenzonitrile

CAS: 312-21-0

Formula: C₈H₄F₃NO₂S

Purity: 97.0%

Color and Shape: Solid

Molecular weight: 235.18

Ref: 10-F403268

4-(Trifluoromethylsulfonyl)Benzonitrile

CAS: 312-21-0

4-(Trifluoromethylsulfonyl)benzonitrile is a coupling agent that is used to catalyze cross-coupling reactions between organoboranes and organic electrophiles. It is compatible with a wide range of functional groups, including phosphine and phosphite. 4-(Trifluoromethylsulfonyl)benzonitrile has been shown to be an excellent catalyst for the Suzuki and Miyaura reactions, as well as for arylation reactions. 4-(Trifluoromethylsulfonyl)benzonitrile is not active in the presence of water or oxygen and should be stored in a dry place at room temperature.

Formula: C₈H₄F₃NO₂S

Purity: Min. 95%

Molecular weight: 235.18 g/mol

Ref: 3D-FT84700