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  7. (Phenylthio)acetonitrile, 98%

(Phenylthio)acetonitrile, 98%

Product Code. 11485293
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Product Code. 11485293 Supplier Thermo Scientific Alfa Aesar Supplier No. A12869.06
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Description

CAS: 5219-61-4 | C8H7NS | 149.21 g/mol

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.

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 Scientific Chemicals.

Applications
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.

Solubility
Not miscible or difficult to mix in water.

Notes
Store away from oxidizing agents. Keep the container tightly closed and place it in a cool, dry and well ventilated condition.
TRUSTED_SUSTAINABILITY

Chemical Identifiers

CAS 5219-61-4
Molecular Formula C8H7NS
Molecular Weight (g/mol) 149.21
MDL Number MFCD00019831
InChI Key QMJWPWCKRKHUNY-UHFFFAOYSA-N
Synonym phenylthio acetonitrile, phenylthioacetonitrile, 2-phenylthio acetonitrile, acetonitrile, phenylthio, phenylmercaptoacetonitrile, cyanomethyl phenyl sulfide, 2-phenylsulfanyl acetonitrile, 2-phenylthioethanenitrile, acmc-209ky7, phenylmercapto acetonitrile
PubChem CID 78891
IUPAC Name 2-phenylsulfanylacetonitrile
SMILES N#CCSC1=CC=CC=C1

Specifications

Density 1.142
Boiling Point 146°C to 147°C (14 mmHg)
Flash Point >110°C (230°F)
Odor Unpleasant
Refractive Index 1.582
Quantity 5 g
Beilstein 2042078
Solubility Information Not miscible or difficult to mix in water.
Formula Weight 149.22
Percent Purity 98%
Chemical Name or Material (Phenylthio)acetonitrile
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