HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 7330593Erstellt: 27. Oktober 2026
(6-Chloro-pyridin-3-yl)-carbamic acid tert-butyl ester
N-Boc-6-chloro-3-pyridinamine · 3-(Boc-amino)-6-chloropyridine · 5-[N-(TERT-BUTOXYCARBONYL)AMINO]-2-CHLOR · ert-butylN-(6-chloropyridin-3-yl)carbamate · tert-butyl N-(6-chloro-3-pyridyl)carbamate · 5-tert-ButoxycarbonylaMino-2-chloropyridine · tert-butyl N-(6-chloropyridin-3-yl)carbamate · 5-[N-(tert-Butoxycarbonyl)amino]-2-chloropyridine
https://huagongshe.com/de/chemical/7330593
Identifikatoren & physikalische Daten
| CAS No. | 171178-45-3 |
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| Summenformel | C10H13ClN2O2 |
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| Durchschnittliche Molmasse | 228,67 g/mol |
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| Monoisotopische Masse | 228,06655534 g/mol |
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| SMILES | CC(C)(C)OC(=O)Nc1ccc(Cl)nc1 |
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| InChIKey | IRHNQVINMHHEIO-UHFFFAOYSA-N |
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| PubChem CID | 7330593 |
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| EC No. | 674-563-1 |
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| DTXSID | DTXSID60428544 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
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| Polarare Oberfläche (TPSA) | 51,2 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 15 |
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| Formalladung | 0 |
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| Komplexität | 228 |
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| SpringerMaterials Properties | Chemical shift |
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| Schmelzpunkt | 127-129°C |
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| Siedepunkt | 283.7±25.0 °C(Predicted) |
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| Dichte | 1.245±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
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| pKa (Säurekonstante) | 12.06±0.70(Predicted) |
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| InChI | InChI=1S/C10H13ClN2O2/c1-10(2,3)15-9(14)13-7-4-5-8(11)12-6-7/h4-6H,1-3H3,(H,13,14) |
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| InChIKey | IRHNQVINMHHEIO-UHFFFAOYSA-N |
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| SMILES | C(OC(C)(C)C)(=O)NC1=CC=C(Cl)N=C1 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 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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| Zollcode | 29333990 |
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| Gefahrenklasse | IRRITANT |
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