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Methyl-2-(isocyanatosulfonyl)benzoat
Methyl-2-(isocyanatosulfonyl)benzoat · Methyl 2-(isocyanatosulfonyl)benzoate · methyl 2-(isocyanatosulphonyl)benzoate · 2-(methoxycarbonyl)benzenesulfonyl isocyanate · 2-(Isocyanatosulfonyl)benzoic acid methyl ester · Benzoic acid, 2-(isocyanatosulfonyl)-, methyl ester
Identifikatoren & physikalische Daten
| CAS No. | 74222-95-0 |
|---|---|
| Summenformel | C9H7NO5S |
| Durchschnittliche Molmasse | 241,22 g/mol |
| Monoisotopische Masse | 241,00449332 g/mol |
| SMILES | COC(=O)c1ccccc1S(=O)(=O)N=C=O |
| InChIKey | HVQWYKPSNHGIDD-UHFFFAOYSA-N |
| PubChem CID | 156281 |
| EC No. | 277-779-0 |
| DTXSID | DTXSID3073630 |
| Lokaler Name | Methyl-2-(isocyanatosulfonyl)benzoat |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 98,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 404 |
| Physical Description | CBILiquid |
| Siedepunkt | 150 °C(Press: 1 Torr) |
| Dichte | 1.38±0.1 g/cm3(Predicted) |
| EPA chemische Informationen | Benzoic acid, 2-(isocyanatosulfonyl)-, methyl ester (74222-95-0) |
Sicherheit & Vorschriften
| Regulatorische Informationen | Benzoic acid, 2-(isocyanatosulfonyl)-, methyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzoic acid, 2-(isocyanatosulfonyl)-, methyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance. |
|---|---|
| TSCA-Inventar-Status | TSCA listed |
Anwendungen & Verwendung
Verwenden
Methyl 2-(Isocyanatosulfonyl)benzoate is an intermediate in the synthesis of Metsulfuron (M227745), a powerful herbicide used in the control of pests and protection of crops and produce.