22821-76-7

Name 4-(METHYLSULFONYL)BENZONITRILE
CAS 22821-76-7
Molecular Formula C8H7NO2S
MDL Number MFCD00216489
Molecular Weight 181.21
MOL File 22821-76-7.mol
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Chemical Properties

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 Data

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

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