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HCID 2736319Erstellt: 23. Oktober 2026
3,5-Dimethylisoxazole-4-sulfonyl chloride
DMISC · AKOS B020507 · AKOS PAO-1613 · AKOS BBS-00002878 · BUTTPARK 27\06-15 · ART-CHEM-BB B020507 · 4-CHLOROSULFONYL-3.5-DIMETHYLISOXAZOLE · dimethyl-1,2-oxazole-4-sulfonyl chloride
https://huagongshe.com/de/chemical/2736319
Identifikatoren & physikalische Daten
| CAS No. | 80466-79-1 |
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| Summenformel | C5H6ClNO3S |
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| Durchschnittliche Molmasse | 195,62 g/mol |
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| Monoisotopische Masse | 194,97569173 g/mol |
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| SMILES | Cc1noc(C)c1S(=O)(=O)Cl |
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| InChIKey | GZLPFEYTAAXJCP-UHFFFAOYSA-N |
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| PubChem CID | 2736319 |
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| EC No. | 672-861-6 |
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| DTXSID | DTXSID10371273 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
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| Polarare Oberfläche (TPSA) | 68,6 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 235 |
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| Schmelzpunkt | 39-40°C |
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| Siedepunkt | 102-103 °C(Press: 14 Torr) |
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| Dichte | 1.452±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
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| Aggregatzustand | solid |
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| pKa (Säurekonstante) | -4.42±0.28(Predicted) |
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| Farbe | Yellow |
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| CAS Datenbank | 80466-79-1(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (88.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P337+P317, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 9 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Corr. 1B (88.9%) |
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| UN-Transportnummer | 3261 |
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| Zollcode | 29339900 |
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| R-Sätze (R) | 34-36 |
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| Gefahrensymbole | Xi |
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| hazard_note | Irritant |
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| Sicherheitshinweise (S) | 26-27-36/37/39-45 |
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| Gefahrenklasse | 8 |
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| Verpackungsgruppe | II |
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