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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 |
Catalog Number | Mfr. No. | Quantity | Price | Quantity | |||||
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Catalog Number | Mfr. No. | Quantity | Price | Quantity | |||||
AAA1286914
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Thermo Scientific Chemicals
A1286914 |
25 g |
Each for $385.77
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AAA1286922
|
Thermo Scientific Chemicals
A1286922 |
100 g |
Each for $1,359.77
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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.
ApplicationsApplications 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.
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 |
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
RUO – Research Use Only