HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 11087263Erstellt: 27. Oktober 2026
4-Methoxybenzyl 2,2,2-Trichloroacetimidate
4-Methoxybenzyl 2,2,2-Trichloroacetimidate · 2,2,2-Trichloroacetimidic Acid 4-Methoxybenzyl Ester · 4-Methoxybenzyl trichloroacetimidate · Darifenacin Impurity 20 · 4-Methoxybenzyl trichloroacetamidate · 4-METHOXYBENZYL-2,2,2-TRICHLOROACETIMID& · O-(4-methoxybenzyl)-trichloroacetimidate · 4-METHOXYBENZYL-2,2,2-TRICHLOROACETIMID&4-Methoxybenzyl 2,2,2-trichloroethanimidate
https://huagongshe.com/de/chemical/11087263
Identifikatoren & physikalische Daten
| CAS No. | 89238-99-3 |
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| Summenformel | C10H10Cl3NO2 |
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| Durchschnittliche Molmasse | 282,5 g/mol |
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| Monoisotopische Masse | 280,977712 g/mol |
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| SMILES | COc1ccc(COC(=N)C(Cl)(Cl)Cl)cc1 |
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| InChIKey | TYHGKLBJBHACOI-UHFFFAOYSA-N |
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| PubChem CID | 11087263 |
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| EC No. | 677-564-5 |
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| DTXSID | DTXSID40454780 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,5 |
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| Polarare Oberfläche (TPSA) | 42,3 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 16 |
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| Formalladung | 0 |
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| Komplexität | 235 |
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| Siedepunkt | 137 °C / 0.7mmHg |
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| Dichte | 1.361 g/mL at 25 °C |
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| Brechungsindex | n20/D 1.5488 |
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| Flammpunkt | 110 °C |
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| Lagerbedingungen | 2-8°C |
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| pKa (Säurekonstante) | 1.96±0.70(Predicted) |
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| Aggregatzustand | clear liquid |
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| Farbe | Colorless to Light yellow to Light orange |
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| Hauptanwendungen | peptide synthesis |
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| InChI | InChI=1S/C10H10Cl3NO2/c1-15-8-4-2-7(3-5-8)6-16-9(14)10(11,12)13/h2-5,14H,6H2,1H3 |
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| InChIKey | TYHGKLBJBHACOI-UHFFFAOYSA-N |
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| SMILES | C(=N)(OCC1=CC=C(OC)C=C1)C(Cl)(Cl)Cl |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302+H312+H332 (97.5%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 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 | Acute Tox. 4 (97.5%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN 3082 9/PG 3 |
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| Zollcode | 29252900 |
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| R-Sätze (R) | 20/21/22-36/37/38-51/53 |
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| Gefahrensymbole | Xn,N |
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| Sicherheitshinweise (S) | 26-61-36/37 |
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| Lagerklasse | 11 - Combustible Solids |
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