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tert-Butylphenylcarbonat
Einecs 229-601-8 · BUTTPARK 52\11-34 · t-Butyl phenyl carbonate · ert-Butyl phenyl carbonate · tart-Butylphenyl carbonate · TERT-BUTYL PHENYL CARBONATE · (2-tert-butylphenyl) carbonate · (tert-Butoxycarbonyloxy)benzene
Identifikatoren & physikalische Daten
| CAS No. | 6627-89-0 |
|---|---|
| Summenformel | C11H14O3 |
| Durchschnittliche Molmasse | 194,23 g/mol |
| Monoisotopische Masse | 194,09429431 g/mol |
| SMILES | CC(C)(C)OC(=O)Oc1ccccc1 |
| InChIKey | UXWVQHXKKOGTSY-UHFFFAOYSA-N |
| PubChem CID | 81113 |
| EC No. | 229-601-8 |
| DTXSID | DTXSID90216471 |
| Lokaler Name | tert-Butylphenylcarbonat |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 187 |
| LogP (Verteilungskoeffizient) | 3.02 |
| Siedepunkt | 83 °C/0.6 mmHg (lit.) |
| Dichte | 1.05 g/mL at 20 °C (lit.) |
| Brechungsindex | n20/D 1.480 |
| Flammpunkt | 214 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Chloroform (Slightly)Slightly soluble in water. |
| Aggregatzustand | Liquid or Low Melting Solid |
| Farbe | Colorless |
| BRN | 2361602 |
| InChI | 1S/C11H14O3/c1-11(2,3)14-10(12)13-9-7-5-4-6-8-9/h4-8H,1-3H3 |
| InChIKey | UXWVQHXKKOGTSY-UHFFFAOYSA-N |
| SMILES | CC(C)(C)OC(=O)Oc1ccccc1 |
| NIST chemische Informationen | Carbonic acid 1,1-dimethylethyl ester(6627-89-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]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. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (50%) |
| F | 21 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29209090 |
| Sicherheitshinweise (S) | 23-24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
tert-Butyl phenyl carbonate is used in determination of octanol-water partition coefficients by microemulsion electrokinetic chromatography. It is also used in the synthesis of 2-nitroindoles and as a reagent for mono-Boc protection of α,ω-diamines.