50390-76-6

Name 2-Methoxy-5-(methylsulfonyl)benzoic acid
CAS 50390-76-6
EINECS(EC#) 256-573-4
Molecular Formula C9H10O5S
MDL Number MFCD01317544
Molecular Weight 230.24
MOL File 50390-76-6.mol
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Chemical Properties

Melting point  190 °C
Boiling point  467.9±45.0 °C(Predicted)
density  1.372±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
solubility  DMSO (Slightly), Methanol (Slightly, Heated)
form  Solid
pka 3.49±0.10(Predicted)
color  White to Off-White
InChI InChI=1S/C9H10O5S/c1-14-8-4-3-6(15(2,12)13)5-7(8)9(10)11/h3-5H,1-2H3,(H,10,11)
InChIKey BXWLVQXAFBWKSR-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC
CAS DataBase Reference 50390-76-6(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H332-H335
Precautionary statements  P280-P305+P351+P338-P310
Hazard Codes  Xi
Hazard Note  Irritant
HS Code  2918999090

Hazard Information

Spectrum Detail

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