Identifikatoren & physikalische Daten
| CAS No. | 51-49-0 |
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| Summenformel | C15H11I4NO4 |
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| Durchschnittliche Molmasse | 776,87 g/mol |
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| Monoisotopische Masse | 776,68669983 g/mol |
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| SMILES | N[C@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O |
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| InChIKey | XUIIKFGFIJCVMT-GFCCVEGCSA-N |
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| PubChem CID | 8730 |
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| ChEMBL | CHEMBL559 |
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| ChEBI | CHEBI:30659 |
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| EC No. | 200-102-7 |
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| DTXSID | DTXSID60199000 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
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| Polarare Oberfläche (TPSA) | 92,8 |
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| H-Brücken-Donoren | 3 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 5 |
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| Schwere Atome | 24 |
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| Formalladung | 0 |
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| Komplexität | 420 |
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| LogP (Verteilungskoeffizient) | 4 |
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| Löslichkeit | 8.98e-03 g/L |
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| Schmelzpunkt | 235-236 °C235 - 236 °C |
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| Physical Description | Solid |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.WarningH302 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral]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 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Weitere Sicherheitsinformationen | IMAP assessments - D-Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-: Environment tier I assessment |
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| Hazard Classes and Categories | Acute Tox. 4 (95.1%) |
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