HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Mesitylenesulfonyl chloride
2,4,6-TRIMETHYLBENZENESULFONYL CHLORIDE · MESITYLENESULFONYL CHLORIDE · 2,4,6-trimethylbenzene-1-sulfonyl chloride · Mesitylsulfonyl chloride · enesuL · MTS-CL · SKL741 · 2-MesityL
Identifiers & Physical Properties
| CAS No. | 773-64-8 |
|---|---|
| Molecular formula | C9H11ClO2S |
| Average molar mass | 218.7 g/mol |
| Monoisotopic mass | 218.0168285 g/mol |
| SMILES | Cc1cc(C)c(S(=O)(=O)Cl)c(C)c1 |
| InChIKey | PVJZBZSCGJAWNG-UHFFFAOYSA-N |
| PubChem CID | 13046 |
| EC No. | 212-257-8 |
| DTXSID | DTXSID90228019 |
Chemical & Physical Properties
| XLogP | 3 |
|---|---|
| Topological polar surface area | 42.5 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 256 |
| Melting point | 55-57 °C(lit.) |
| Boiling point | 150°C/20mm |
| Density | 1.4386 (rough estimate) |
| Refractive index | 1.5500 (estimate) |
| Flash point | >230 °F |
| Storage conditions | Keep in dark place,Inert atmosphere,2-8°C |
| Solubility | Soluble in toluene (almost transparency).insoluble |
| Physical state | Crystalline Powder |
| Color | White to gray |
| Sensitivity | Moisture Sensitive |
| BRN | 1107601 |
| InChI | 1S/C9H11ClO2S/c1-6-4-7(2)9(8(3)5-6)13(10,11)12/h4-5H,1-3H3 |
| InChIKey | PVJZBZSCGJAWNG-UHFFFAOYSA-N |
| SMILES | Cc1cc(C)c(c(C)c1)S(Cl)(=O)=O |
| LogP (partition coefficient) | 2.738 (est) |
| CAS DataBase Reference | 773-64-8(CAS DataBase Reference) |
| EWG's Food Scores | 1 |
| FDA UNII | 93TFV87MP5 |
| NIST Chemistry Reference | 2-Mesitylenesulfonyl chloride(773-64-8) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS05 |
| Signal word | Danger |
| GHS hazard statements | H314 |
| GHS precautionary statements | P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363 |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges |
| Hazard symbols | C |
| Risk statements (R) | 34-29 |
| Safety statements (S) | 22-26-27-36/37/39-45 |
| UN transport number | UN 3261 8/PG 2 |
| Water hazard class (WGK) | 3 |
| RTECS number | DB8930000 |
| F | 10-21 |
| Hazard Note | Corrosive |
| Hazard class | 8Skin Corr. 1B |
| Packing group | II |
| Customs code | 29049020 |
| Storage class | 8A - Combustible corrosive hazardous materials |
| Limited quantities | 1 Kg (2.2 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |
Safety & Regulations
| F | 10-21 |
|---|---|
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges |
| Water hazard class (WGK) | 3 |
| RTECS number | DB8930000 |
| UN transport number | UN 3261 8/PG 2 |
| Customs code | 29309070 |
| Risk statements (R) | 34-29 |
| Signal word | Danger |
| GHS pictogram | GHS05 |
| Hazard symbols | C |
| hazard_note | Corrosive |
| Safety statements (S) | 22-26-27-36/37/39-45 |
| Hazard class | 8Skin Corr. 1B |
| Storage class | 8A - Combustible corrosive hazardous materials |
| Packing group | II |
| GHS hazard statements | H314 |
| Limited quantities | 1 Kg (2.2 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |
| GHS precautionary statements | P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363 |
Applications & Uses
Uses
Coupling reagent in polynucleotide synthesis.1
Uses
Mesitylene-2-sulfonyl chloride is used as reagent for intramolecular lactamizations and lactonization. It also acts as a reagent for protecting guanidino groups and tryptophan. It is used as coupling reagent in polynucleotide synthesis