ChemicalBook--->CAS DataBase List--->5219-61-4

5219-61-4

5219-61-4 Structure

5219-61-4 Structure
IdentificationMore
[Name]

PHENYLTHIOACETONITRILE
[CAS]

5219-61-4
[Synonyms]

2-(PHENYLTHIO)ACETONITRILE
(PHENYLMERCAPTO)ACETONITRILE
PHENYLTHIOACETONITRILE
(phenylthio)-acetonitril
cyanomethylphenylsulfide
Phenylsulfanyl-acetonitrile
Phenylthioacetonitrile, 97+%
Acetonitrile, (phenylthio)-
Phenyl(cyanomethyl) sulfide
[EINECS(EC#)]

226-013-3
[Molecular Formula]

C8H7NS
[MDL Number]

MFCD00019831
[Molecular Weight]

149.21
[MOL File]

5219-61-4.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to light yellow liquid
[Boiling point ]

146-147 °C14 mm Hg(lit.)
[density ]

1.142 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.583(lit.)
[Fp ]

146-147°C/14mm
[Water Solubility ]

Not miscible or difficult to mix in water.
[BRN ]

2042078
[CAS DataBase Reference]

5219-61-4(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn,T
[Risk Statements ]

R22:Harmful if swallowed.
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
[RIDADR ]

3276
[WGK Germany ]

3
[RTECS ]

AM1900000
[F ]

13
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29309099
Hazard InformationBack Directory
[Chemical Properties]

clear colorless to light yellow liquid
[Uses]

Applications include, 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.
Spectrum DetailBack Directory
[Spectrum Detail]

PHENYLTHIOACETONITRILE(5219-61-4)MS
PHENYLTHIOACETONITRILE(5219-61-4)1HNMR
PHENYLTHIOACETONITRILE(5219-61-4)IR1
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Phenylthioacetonitrile, 98%(5219-61-4)
[Alfa Aesar]

(Phenylthio)acetonitrile, 98%(5219-61-4)
[Sigma Aldrich]

5219-61-4(sigmaaldrich)
[TCI AMERICA]

(Phenylthio)acetonitrile,>98.0%(GC)(5219-61-4)
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