168618-23-3

Name methyl 3-amino-5-(methylsulfonyl)benzoate
CAS 168618-23-3
Molecular Formula C9H11NO4S
Molecular Weight 229.25
MOL File 168618-23-3.mol
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Chemical Properties

Boiling point  483.4±45.0 °C(Predicted)
density  1.337±0.06 g/cm3(Predicted)
form  solid
pka 1.51±0.10(Predicted)
InChI 1S/C9H11NO4S/c1-14-9(11)6-3-7(10)5-8(4-6)15(2,12)13/h3-5H,10H2,1-2H3
InChIKey OZNYNYIYWUOJRR-UHFFFAOYSA-N
SMILES O=S(C1=CC(N)=CC(C(OC)=O)=C1)(C)=O

Safety Data

Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

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