2-Methoxy-5-(methylsulfonyl)benzoic acid
- Product Name2-Methoxy-5-(methylsulfonyl)benzoic acid
- CAS50390-76-6
- CBNumberCB4204266
- MFC9H10O5S
- MW230.24
- EINECS256-573-4
- MDL NumberMFCD01317544
- MOL File50390-76-6.mol
- MSDS FileSDS
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) |
| FDA UNII | HL1OU1ENK7 |
Safety
| Symbol(GHS) |
|
| 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 |
