HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 2787219Erstellt: 3. November 2026
2-(Toluene-4-sulfonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid
2-(4-methylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid · 2-[(4-methylphenyl)sulfonyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid · 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-2-[(4-methylphenyl)sulfonyl]-
https://huagongshe.com/de/chemical/2787219
Identifikatoren & physikalische Daten
| CAS No. | 36842-73-6 |
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| Summenformel | C17H17NO4S |
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| Durchschnittliche Molmasse | 331,4 g/mol |
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| Monoisotopische Masse | 331,0878292 g/mol |
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| SMILES | Cc1ccc(S(=O)(=O)N2Cc3ccccc3CC2C(=O)O)cc1 |
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| InChIKey | AIQIQJGSMJPTIG-UHFFFAOYSA-N |
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| PubChem CID | 2787219 |
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| EC No. | 803-678-3 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
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| Polarare Oberfläche (TPSA) | 83,1 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 23 |
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| Formalladung | 0 |
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| Komplexität | 533 |
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| Siedepunkt | 553.5±60.0 °C(Predicted) |
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| Dichte | 1.363±0.06 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 3.30±0.20(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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