HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 17451Erstellt: 26. Oktober 2026
Methylphenylcarbamat
Methyl phenylcarbamate · Methyl carbanilate · methylphenylcarbamate · Methyl phenylurethane · Methyl N-phenylurethane · METHYL N-PHENYLCARBAMATE · MethylN-Phenylcarbamate>N-phenylcoumarin methyl ester · Carbanilic acid, methyl ester
https://huagongshe.com/de/chemical/17451
Identifikatoren & physikalische Daten
| CAS No. | 2603-10-3 |
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| Summenformel | C8H9NO2 |
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| Durchschnittliche Molmasse | 151,16 g/mol |
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| Monoisotopische Masse | 151,06332853 g/mol |
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| SMILES | COC(=O)Nc1ccccc1 |
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| InChIKey | IAGUPODHENSJEZ-UHFFFAOYSA-N |
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| PubChem CID | 17451 |
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| ChEMBL | CHEMBL4529032 |
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| EC No. | 220-014-2 |
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| DTXSID | DTXSID00180674 |
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| Lokaler Name | Methylphenylcarbamat |
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Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
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| Polarare Oberfläche (TPSA) | 38,3 |
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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 | 11 |
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| Formalladung | 0 |
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| Komplexität | 130 |
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| SpringerMaterials Properties | Chemical shift |
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| Schmelzpunkt | 47°C |
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| Siedepunkt | 126 °C / 10mmHg |
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| Dichte | 1.2023 (rough estimate) |
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| Brechungsindex | 1.5810 (estimate) |
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| Lagerbedingungen | Inert atmosphere,Room Temperature |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | 13.86±0.70(Predicted) |
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| Farbe | White to Light yellow to Light red |
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| InChI | InChI=1S/C8H9NO2/c1-11-8(10)9-7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10) |
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| InChIKey | IAGUPODHENSJEZ-UHFFFAOYSA-N |
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| SMILES | C(OC)(=O)NC1=CC=CC=C1 |
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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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| Zollcode | 2924297099 |
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| R-Sätze (R) | 36/37/38 |
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| Sicherheitshinweise (S) | 26-36/37/39 |
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