439579-12-1

Name 5-mercapto-2-methoxy-4-methylbenzoic acid
CAS 439579-12-1
EINECS(EC#) 604-604-1
Molecular Formula C9H10O3S
MDL Number MFCD09831918
Molecular Weight 198.24
MOL File 439579-12-1.mol
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Chemical Properties

Boiling point  379.6±42.0 °C(Predicted)
density  1.280±0.06 g/cm3(Predicted)
storage temp.  2-8°C, stored under nitrogen
pka 4.01±0.10(Predicted)
Appearance Off-white to yellow Solid
InChI InChI=1S/C9H10O3S/c1-5-3-7(12-2)6(9(10)11)4-8(5)13/h3-4,13H,1-2H3,(H,10,11)
InChIKey XNKVDVNVKYMYFS-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC(S)=C(C)C=C1OC

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P280-P301+P312-P302+P352-P305+P351+P338
HS Code  2930909899

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