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22821-76-7

22821-76-7 Structure

22821-76-7 Structure
IdentificationMore
[Name]

4-(METHYLSULFONYL)BENZONITRILE
[CAS]

22821-76-7
[Synonyms]

4-METHANESULFONYL-BENZONITRILE
4-(METHYLSULFONYL)BENZONITRILE
4-METHYLSULPHONYL BENZONITRILE
BUTTPARK 121\04-70
Benzonitrile, 4-(methylsulfonyl)-
Benzonitrile, p-(methylsulfonyl)-
p-Methanesulfonylbenzonitrile
4-(Methylsulphonyl)benzonitrile 98%
[Molecular Formula]

C8H7NO2S
[MDL Number]

MFCD00216489
[Molecular Weight]

181.21
[MOL File]

22821-76-7.mol
Chemical PropertiesBack Directory
[Appearance]

white to brown crystalline powder
[Melting point ]

137-142 °C
[Boiling point ]

385.8±34.0 °C(Predicted)
[density ]

1.3055 (rough estimate)
[refractive index ]

1.5650 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Crystalline Powder
[color ]

White to orange to brown
[InChI]

1S/C8H7NO2S/c1-12(10,11)8-4-2-7(6-9)3-5-8/h2-5H,1H3
[InChIKey]

FARXIDYHJAANGP-UHFFFAOYSA-N
[SMILES]

CS(=O)(=O)c1ccc(cc1)C#N
[CAS DataBase Reference]

22821-76-7(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

WGK 3
[Hazard Note ]

Irritant
[HS Code ]

29214200
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Hazard InformationBack Directory
[Chemical Properties]

white to brown crystalline powder
[Definition]

ChEBI: 4-(Methylsulfonyl)benzonitrile is a sulfonic acid derivative.
Spectrum DetailBack Directory
[Spectrum Detail]

4-(METHYLSULFONYL)BENZONITRILE(22821-76-7)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Methylsulphonyl benzonitrile, 95%(22821-76-7)
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