3-(Methylsulfonyl)benzoic acid
- Product Name3-(Methylsulfonyl)benzoic acid
- CAS5345-27-7
- CBNumberCB1776407
- MFC8H8O4S
- MW200.21
- MDL NumberMFCD00216488
- MOL File5345-27-7.mol
Chemical Properties
| Melting point: | 230-238 °C |
| Boiling point: | 230-238°C |
| Density | 1.4787 (rough estimate) |
| refractive index | 1.5500 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| pka | pK1:3.52 (25°C) |
| form | Powder |
| color | White to very slightly yellow |
| Sensitive | Moisture Sensitive |
| InChI | InChI=1S/C8H8O4S/c1-13(11,12)7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10) |
| InChIKey | KUTBMATZUQWFSR-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC=CC(S(C)(=O)=O)=C1 |
| CAS DataBase Reference | 5345-27-7(CAS DataBase Reference) |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 41 | |||||||||
| Safety Statements | 24/25-39-26 | |||||||||
| Hazard Note | Irritant | |||||||||
| HS Code | 2930909099 | |||||||||
| NFPA 704: |
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