854663-68-6

Name N,N'-(4,5-dicyano-1,2-phenylene) bis (4-methylbenzenesulfonamide)
CAS 854663-68-6
Molecular Formula C22H18N4O4S2
MDL Number MFCD34469795
Molecular Weight 466.53
MOL File 854663-68-6.mol
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Chemical Properties

Melting point  203-205 °C(Solv: acetic acid (64-19-7); ethanol (64-17-5))
Boiling point  670.7±65.0 °C(Predicted)
density  1.48±0.1 g/cm3(Predicted)
pka 5.27±0.10(Predicted)
InChI InChI=1S/C22H18N4O4S2/c1-15-3-7-19(8-4-15)31(27,28)25-21-11-17(13-23)18(14-24)12-22(21)26-32(29,30)20-9-5-16(2)6-10-20/h3-12,25-26H,1-2H3
InChIKey BHYVOIGNSLTKGV-UHFFFAOYSA-N
SMILES C1(NS(C2=CC=C(C)C=C2)(=O)=O)=CC(C#N)=C(C#N)C=C1NS(C1=CC=C(C)C=C1)(=O)=O

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319
Precautionary statements  P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

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