HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Benzoic acid, 3-(chlorosulfonyl)-, methyl ester
methyl 3-chlorosulfonylbenzoate · Methyl benzoate-3-sulfonyl chloride · 3-(Methoxycarbonyl)benzenesulfonyl chloride · 3-(Methoxycarbonyl)benzenesulphonyl chloride · Benzoic acid,3-(chlorosulfonyl)-, Methyl ester
Identifikatoren & physikalische Daten
| CAS No. | 63555-50-0 |
|---|---|
| Summenformel | C8H7ClO4S |
| Durchschnittliche Molmasse | 234,66 g/mol |
| Monoisotopische Masse | 233,97535738 g/mol |
| SMILES | COC(=O)c1cccc(S(=O)(=O)Cl)c1 |
| InChIKey | SQIBNKUEUWGZBH-UHFFFAOYSA-N |
| PubChem CID | 113339 |
| EC No. | 689-677-7 |
| DTXSID | DTXSID8069935 |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 68,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 306 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Siedepunkt | 345.6±25.0 °C(Predicted) |
| Dichte | 1.431 |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Aggregatzustand | powder |
| Farbe | light orange |
| InChI | InChI=1S/C8H7ClO4S/c1-13-8(10)6-3-2-4-7(5-6)14(9,11)12/h2-5H,1H3 |
| InChIKey | SQIBNKUEUWGZBH-UHFFFAOYSA-N |
| SMILES | C(OC)(=O)C1=CC=CC(S(Cl)(=O)=O)=C1 |
| EPA chemische Informationen | Benzoic acid, 3-(chlorosulfonyl)-, methyl ester (63555-50-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance. |
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 3261 |
| Zollcode | 2916399090 |
| Gefahrenklasse | IRRITANT |
| Verpackungsgruppe | Ⅲ |
Anwendungen & Verwendung
Verwenden
Methyl 3-(chlorosulfonyl)benzoate