(Phenylthio)acetonitrile

• Catalog No.: A12869
• CAS Number: 5219-61-4
• M. F.: C8H7NS
• M. W.: 149.21288
• Purity: 98%

SYNONYMS

• Title: (苯硫基)乙腈
• IUPAC name: 2-(phenylsulfanyl)acetonitrile
• IUPAC Traditional name: acetonitrile, (phenylthio)-
• Synonyms: Phenylmercaptoacetonitrile; Cyanomethyl phenyl sulfide

DATABASE IDS

• EC Number: 226-013-3
• MDL Number: MFCD00019831
• Beilstein Number: 2042078
• CAS Number: 5219-61-4

PROPERTIES

• Purity: 98%
• Boiling Point: 146-147°C/14mm
• Density: 1.142
• Flash Point: >110°C(230°F)
• Refractive Index: 1.5820
• GHS Hazard statements: H302
• European Hazard Symbols: X
• GHS Precautionary statements: P280F
• Risk Statements: 22
• RTECS: AM1900000
• Safety Statements: 36
• TSCA Listed: 否

REFERENCES

• Electron-deficient aromatics undergo vicarious nucleophilic substitution (VNS) reactions with the anion. Thus the molecule is equivalent to an acetonitrile anion synthon with thiophenate as the leaving group. For example, in the presence of solid NaOH in DMSO, nitrobenzene gives predominantly 4-nitrophenylacetonitrile, along with some of the 2-isomer: J. Org. Chem., 45, 1534 (1980).
• Electrochemical ɑ-monofluorination with Triethylamine trihydrofluoride, L14417 occurs in good yield: J. Org. Chem., 60, 3459 (1995).