CAS 5697-44-9

2-[(4-Methylphenyl)sulfonyl]acetonitrile

Description:

2-[(4-Methylphenyl)sulfonyl]acetonitrile, with the CAS number 5697-44-9, is an organic compound characterized by the presence of a sulfonyl group attached to a methylphenyl moiety and an acetonitrile functional group. This compound typically appears as a solid or crystalline substance and is known for its polar nature due to the presence of the nitrile and sulfonyl groups, which can influence its solubility in various solvents. It is often utilized in organic synthesis and pharmaceutical applications, serving as an intermediate in the production of various chemical entities. The sulfonyl group contributes to its reactivity, making it a useful building block in the synthesis of more complex molecules. Additionally, the presence of the methyl group on the phenyl ring can affect the compound's electronic properties and steric hindrance, which may influence its reactivity and interactions in chemical reactions. Safety data should be consulted for handling and storage, as with all chemical substances.

Formula: C₉H₉NO₂S

InChI: InChI=1/C16H10Cl2N2OS/c17-12-6-4-10(5-7-12)14-9-22-16(19-14)20-15(21)11-2-1-3-13(18)8-11/h1-9H,(H,19,20,21)

InChI key: InChIKey=BBNNLJMGPASZPD-UHFFFAOYSA-N

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

Synonyms:

• (4-Tolylsulfonyl)acetonitrile
• (Toluene-4-sulfonyl)-acetonitrile
• (p-Tolylsulfonyl)acetonitrile
• 2-(4-Methylbenzenesulfonyl)acetonitrile
• 2-Tosylacetonitrile
• 2-[(4-Methylphenyl)sulfonyl]acetonitrile
• 3-chloro-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
• 4-Methylbenzenesulfonylacetonitrile
• 4-Tolylsulfoacetonitrile
• Acetonitrile, (p-tolylsulfonyl)-
• Acetonitrile, 2-[(4-methylphenyl)sulfonyl]-
• Acetonitrile, [(4-methylphenyl)sulfonyl]-
• Cyanomethyl p-tolyl sulfone
• NSC 125922
• Tosylacetonitrile
• [(4-Methylphenyl)sulfonyl]acetonitrile
• benzamide, 3-chloro-N-[4-(4-chlorophenyl)-2-thiazolyl]-
• OTAVA-BB BB0125330361
• p-Toluenesulphonylacetonitrile,98+%
• P-(CYANOMETHYLSULFONYL)TOLUENE
• 3-Toluenesulfonylacetonitrile
• 4-(Toluenesulphonyl)acetonitrile 98%
• IFLAB-BB F1085-0009
• p-Toluenesulfonylacetonitrile, 98+%
• P-TOLYLSULFONYLACETONITRILE
• 4-(Methylphenyl)sulphonylacetonitrile
• P-TOLUENESULPHONYLACETONITRILE
• P-TOLUENESULFONYLACETONITRILE
• 2-(4-Methylphenyl)sulfonylacetonitrile
• 4-TOLUENESULFONYLACETONITRILE

p-Toluenesulfonylacetonitrile, 98+%

CAS: 5697-44-9

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: C₉H₉NO₂S

Purity: 98+%

Color and Shape: White to cream or pale yellow, Crystals or powder or crystalline powder

Molecular weight: 195.24

Ref: 02-A12857

2-Tosylacetonitrile

CAS: 5697-44-9

Formula: C₉H₉NO₂S

Purity: 98%

Color and Shape: Solid

Molecular weight: 195.2383

Ref: IN-DA003K95

p-Toluenesulfonylacetonitrile

CAS: 5697-44-9

Formula: C₉H₉NO₂S

Purity: >99.0%(GC)

Color and Shape: White to Almost white powder to crystal

Molecular weight: 195.24

Ref: 3B-T0846

[(4-Methylphenyl)sulphonyl]acetonitrile

CAS: 5697-44-9

[(4-Methylphenyl)sulphonyl]acetonitrile

Purity: 98%

Molecular weight: 195.24g/mol

Ref: 54-OR0162

[(4-Methylphenyl)sulfonyl]acetonitrile

CAS: 5697-44-9

[(4-Methylphenyl)sulfonyl]acetonitrile is a synthetic compound that has been shown to inhibit the enzyme SHP2. This inhibition leads to decreased proliferation of cells and may be useful in the treatment of degenerative diseases. [(4-Methylphenyl)sulfonyl]acetonitrile is an organic solvent and a nucleophilic reagent that reacts with metal carbonates, such as calcium carbonate, to form carbanions. The carbanion intermediate can react with nucleophiles, such as acetonitrile, to form a new compound that is structurally related to the original starting material.

Formula: C₉H₉SNO₂

Purity: Min. 95%

Molecular weight: 195.24 g/mol

Ref: 3D-FM58773

4-Toluenesulfonylacetonitrile

CAS: 5697-44-9

Formula: C₉H₉NO₂S

Purity: 98%

Color and Shape: Solid

Molecular weight: 195.24

Ref: 10-F003787