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(Phenylthio)acetonitrile, 98%, Thermo Scientific Chemicals

$385.77 - $1359.77

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
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Products 2
Catalog Number Mfr. No. Quantity Price Quantity  
Catalog Number Mfr. No. Quantity Price Quantity  
AAA1286914
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Thermo Scientific Chemicals
A1286914
25 g
Each for $385.77
 
AAA1286922
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Thermo Scientific Chemicals
A1286922
100 g
Each for $1,359.77
 
Description

Description

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.
Specifications

Chemical Identifiers

5219-61-4
149.21
QMJWPWCKRKHUNY-UHFFFAOYSA-N
78891
N#CCSC1=CC=CC=C1
C8H7NS
MFCD00019831
phenylthio acetonitrile, phenylthioacetonitrile, 2-phenylthio acetonitrile, acetonitrile, phenylthio, phenylmercaptoacetonitrile, cyanomethyl phenyl sulfide, 2-phenylsulfanyl acetonitrile, 2-phenylthioethanenitrile, acmc-209ky7, phenylmercapto acetonitrile
2-phenylsulfanylacetonitrile

Specifications

5219-61-4
146°C to 147°C (14 mmHg)
Unpleasant
1.582
25 g
phenylthio acetonitrile, phenylthioacetonitrile, 2-phenylthio acetonitrile, acetonitrile, phenylthio, phenylmercaptoacetonitrile, cyanomethyl phenyl sulfide, 2-phenylsulfanyl acetonitrile, 2-phenylthioethanenitrile, acmc-209ky7, phenylmercapto acetonitrile
QMJWPWCKRKHUNY-UHFFFAOYSA-N
2-phenylsulfanylacetonitrile
78891
98%
1.142
>110°C (230°F)
C8H7NS
MFCD00019831
2042078
Not miscible or difficult to mix in water.
N#CCSC1=CC=CC=C1
149.21
149.22
(Phenylthio)acetonitrile
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Safety and Handling

Safety and Handling

GHS H Statement
H302
Harmful if swallowed.

P261-P264b-P270-P271-P280-P301+P312-P302+P352-P304+P340-P312-P330-P363-P501c

H302+H312+H332

DOTInformation : Hazard Class: 6.1; Packaging Group: III

EINECSNumber : 226-013-3

RTECSNumber : AM1900000

TSCA : No

Recommended Storage : Ambient temperatures

SDS
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RUO – Research Use Only