117-38-4

Name [(2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino]methanesulfonic acid
CAS 117-38-4
Molecular Formula C12H15N3O4S
Molecular Weight 297.33
MOL File 117-38-4.mol
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Chemical Properties

density  1.50±0.1 g/cm3(Predicted)
pka 1.19±0.50(Predicted)
InChI InChI=1S/C12H15N3O4S/c1-9-11(13-8-20(17,18)19)12(16)15(14(9)2)10-6-4-3-5-7-10/h3-7,13H,8H2,1-2H3,(H,17,18,19)
InChIKey VRESBCAKEFFDQB-UHFFFAOYSA-N
SMILES C(NC1=C(C)N(C)N(C2=CC=CC=C2)C1=O)S(O)(=O)=O

Safety Data

Symbol(GHS)  Health Hazard (GHS08)Exclamation Mark (GHS07)
GHS08,GHS07
Signal word  Warning
Hazard statements  H302-H312-H332
Precautionary statements  P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501

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