4-Methylsulphonylbenzoic acid
- Product Name4-Methylsulphonylbenzoic acid
- CAS4052-30-6
- CBNumberCB4337588
- MFC8H8O4S
- MW200.21
- EINECS223-756-5
- MDL NumberMFCD00007564
- MOL File4052-30-6.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 268-271 °C(lit.) |
| Boiling point | 307.93°C (rough estimate) |
| Density | 1.4787 (rough estimate) |
| refractive index | 1.5500 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | slight |
| pka | pK1:3.64 (25°C) |
| form | powder to crystal |
| color | White to Almost white |
| Water Solubility | slight |
| InChI | 1S/C8H8O4S/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10) |
| InChIKey | AJBWNNKDUMXZLM-UHFFFAOYSA-N |
| SMILES | CS(=O)(=O)c1ccc(cc1)C(O)=O |
| CAS DataBase Reference | 4052-30-6(CAS DataBase Reference) |
| FDA UNII | JH6TZZ7RC7 |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H315-H335-H302-H319 | |||||||||
| Precautionary statements | P261-P280a-P304+P340-P405-P501a-P305+P351+P338 | |||||||||
| Hazard Codes | Xn,Xi | |||||||||
| Risk Statements | 22 | |||||||||
| Safety Statements | 24/25-26 | |||||||||
| WGK Germany | 3 | |||||||||
| Hazard Note | Irritant | |||||||||
| HS Code | 29163100 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 | |||||||||
| NFPA 704: |
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