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4461-38-5

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4461-38-5 Structure

4461-38-5 Structure
IdentificationBack Directory
[Name]

4-Methanesulfonylbenzamide
[CAS]

4461-38-5
[Synonyms]

4-Methanesulfonylbenzamide
4-(Methylsulfonyl)benzamide
Benzamide, 4-(methylsulfonyl)-
[Molecular Formula]

C8H9NO3S
[MDL Number]

MFCD11643166
[MOL File]

4461-38-5.mol
[Molecular Weight]

199.23
Chemical PropertiesBack Directory
[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 DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
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