4461-38-5

Name 4-Methanesulfonylbenzamide
CAS 4461-38-5
Molecular Formula C8H9NO3S
MDL Number MFCD11643166
Molecular Weight 199.23
MOL File 4461-38-5.mol
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Chemical Properties

Melting point  226-226.5 °C
Boiling point  440.2±37.0 °C(Predicted)
density  1.328±0.06 g/cm3(Predicted)
form  solid
pka 15.12±0.50(Predicted)
InChI 1S/C8H9NO3S/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H2,9,10)
InChIKey LHKNFPQRVQCNQY-UHFFFAOYSA-N
SMILES O=S(C(C=C1)=CC=C1C(N)=O)(C)=O

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2

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