184357

(Phenylsulfonyl)acetonitrile

98%

• Linear Formula: C₆H₅SO₂CH₂CN
• CAS Number: 7605-28-9
• Molecular Weight: 181.21
• Beilstein: 640716
• EC Number: 231-515-0
• MDL number: MFCD00007550
• UNSPSC Code: 12352100
• PubChem Substance ID: 24851110
• NACRES: NA.22

Properties

• Assay: 98%
• form: solid
• mp: 112-114 °C (lit.)
• functional group: nitrile; sulfone
• SMILES string: O=S(=O)(CC#N)c1ccccc1
• InChI: 1S/C8H7NO2S/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-5H,7H2
• InChI key: ZFCFFNGBCVAUDE-UHFFFAOYSA-N

Description

General description

Condensation reaction of (phenylsulfonyl)acetonitrile with benzaldehyde in water in heterogeneous phase in the presence and absence of anionic and cationic surfactants has been studied. Dehydrative alkylation of alcohols with (phenylsulfonyl)acetonitrile under modified Mitsunobu conditions has been investigated.

Application

(Phenylsulfonyl)acetonitrile was used in the synthesis of pyridines, chromenes and thiophene derivatives based on sulfones.

Safety Information

• Pictograms: GHS06
• Signal Word: Danger
• Hazard Statements: H301 + H311 + H331
• Precautionary Statements: P261 - P264 - P280 - P301 + P310 - P302 + P352 + P312 - P304 + P340 + P311
• Hazard Classifications: Acute Tox. 3 Oral
• Storage Class Code: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves