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HCID 69322Erstellt: 26. Oktober 2026
Phenylcarbamat
PHENYL CARBAMATE · o-Phenyl carbamate · Phenylcarbamate,98+% · Phenyl carbamate,97% · Phenyl carbaMate 97% · CARBAMICACID,PHENYLESTER · Phenyl carbamate ISO 9001：2015 REACH
https://huagongshe.com/de/chemical/69322
Identifikatoren & physikalische Daten
| CAS No. | 622-46-8 |
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| Summenformel | C7H7NO2 |
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| Durchschnittliche Molmasse | 137,14 g/mol |
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| Monoisotopische Masse | 137,04767846 g/mol |
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| SMILES | NC(=O)Oc1ccccc1 |
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| InChIKey | BSCCSDNZEIHXOK-UHFFFAOYSA-N |
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| PubChem CID | 69322 |
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| ChEMBL | CHEMBL173183 |
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| ChEBI | CHEBI:195069 |
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| EC No. | 210-737-1 |
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| DTXSID | DTXSID20211237 |
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| Lokaler Name | Phenylcarbamat |
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Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
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| Polarare Oberfläche (TPSA) | 52,3 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 10 |
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| Formalladung | 0 |
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| Komplexität | 119 |
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| SpringerMaterials Properties | Surface tension |
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| LogP (Verteilungskoeffizient) | 1.08 |
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| Schmelzpunkt | 149-152 °C(lit.) |
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| Siedepunkt | 251.96°C (rough estimate) |
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| Dichte | 1.2528 (rough estimate) |
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| Brechungsindex | 1.5030 (estimate) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | powder |
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| pKa (Säurekonstante) | 12.33±0.50(Predicted) |
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| Löslichkeit | Soluble in water. |
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| BRN | 2042627 |
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| InChI | 1S/C7H7NO2/c8-7(9)10-6-4-2-1-3-5-6/h1-5H,(H2,8,9) |
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| InChIKey | BSCCSDNZEIHXOK-UHFFFAOYSA-N |
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| SMILES | NC(=O)Oc1ccccc1 |
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| CAS Datenbank | 622-46-8(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29242998 |
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| Sicherheitshinweise (S) | 24/25 |
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| Lagerklasse | 11 - Combustible Solids |
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Anwendungen & Verwendung
Verwenden
Phenyl carbamate is used as various phenyl carbamate esters derived from amino acids, a dipeptide and amino acid esters and amides were prepared and assessed as potential prodrugs with the aim of protecting phenolic drugs against first-pass metabolism following per oral administration.A tin-catalyzed transcarbamoylation of primary and secondary alcohols with phenyl carbamate proceeds smoothly in toluene at 90℃ to generate the corresponding carbamates in good yields. This mild method exhibits a broad functional-group tolerance.Y. Ichikawa, Y. Morishita, S. Kusaba, N. Sakiyama, Y. Matsuda, K. Nakano, H. Kotsuki, Synlett, 2010, 1815-1818.http://dx.doi.org/10.1055/s-0030-1258102
