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7-(Acetyloxy)-4-methyl-2-benzopyron
7-ACETYL-4-METHYLCOUMARIN · 4-Methylumbeliferyl acetate · MU-AC · MUACETATE · MUB ACETATE · 4-MU-ACETATE · ACETYL HYMETOCHROME · 7-Aceoxy-4-MethylcouMarin
Identifikatoren & physikalische Daten
| CAS No. | 2747-05-9 |
|---|---|
| Summenformel | C12H10O4 |
| Durchschnittliche Molmasse | 218,2 g/mol |
| Monoisotopische Masse | 218,0579088 g/mol |
| SMILES | CC(=O)Oc1ccc2c(C)cc(=O)oc2c1 |
| InChIKey | HXVZGASCDAGAPS-UHFFFAOYSA-N |
| PubChem CID | 366 |
| ChEMBL | CHEMBL12019 |
| ChEBI | CHEBI:17763 |
| EC No. | 220-386-6 |
| DTXSID | DTXSID70181895 |
| Lokaler Name | 7-(Acetyloxy)-4-methyl-2-benzopyron |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 52,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 345 |
| SpringerMaterials Properties | Chemical shift |
| Schmelzpunkt | 153 - 154 °C149-150 °C(lit.) |
| Physical Description | Solid |
| Siedepunkt | 278.88°C (rough estimate) |
| Dichte | 1.1096 (rough estimate) |
| Brechungsindex | 1.4270 (estimate) |
| Lagerbedingungen | -20°C |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| BRN | 189667 |
| InChI | InChI=1S/C12H10O4/c1-7-5-12(14)16-11-6-9(15-8(2)13)3-4-10(7)11/h3-6H,1-2H3 |
| InChIKey | HXVZGASCDAGAPS-UHFFFAOYSA-N |
| SMILES | C1(=O)OC2=CC(OC(C)=O)=CC=C2C(C)=C1 |
| CAS Datenbank | 2747-05-9(CAS DataBase Reference) |
| NIST chemische Informationen | 7-Acetoxy-4-methylcoumarin(2747-05-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (97.6%): 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)Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (97.6%) |
| F | 8-10-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2932209090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Fluorogenic substrate for esterases, broadly applied to various types of esterases., including carboxyesterases. Measurement of intracellular pH in rat proximal convoluted tubule.