HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
7-Amino-4-(trifluormethyl)-2-benzopyron
AFC · 7-AMINO-4-(TRIFLUOROMETHYL)COUMARIN · 7-AMINO-4-(TRIFLUOROMETHYL)-2H-CHROMEN-2-ONE · 7-AMIDO-4-TRIFLUOROMETHYLCOUMARIN · Coumarin 490 · AKOS B000459 · COUMARIN 151 · Coumarine151
Identifikatoren & physikalische Daten
| CAS No. | 53518-15-3 |
|---|---|
| Summenformel | C10H6F3NO2 |
| Durchschnittliche Molmasse | 229,15 g/mol |
| Monoisotopische Masse | 229,03506292 g/mol |
| SMILES | Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1 |
| InChIKey | JBNOVHJXQSHGRL-UHFFFAOYSA-N |
| PubChem CID | 100641 |
| ChEMBL | CHEMBL1301731 |
| ChEBI | CHEBI:51772 |
| EC No. | 258-599-1 |
| DTXSID | DTXSID0068862 |
| Lokaler Name | 7-Amino-4-(trifluormethyl)-2-benzopyron |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 52,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 337 |
| Stoffklassen | Dyes -> Coumarin Dyes |
| Physical Description | Yellow powder[Alfa Aesar MSDS] |
| Schmelzpunkt | 221-222 °C(lit.) |
| Siedepunkt | 314.6±42.0 °C(Predicted) |
| Dichte | 1.4096 (estimate) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | 1.12±0.20(Predicted) |
| Farbe | Yellow |
| Löslichkeit | Soluble in dimethyl sulfoxide (25 mg/ml), dimethyl formamide (25 mg/ml), and methanol (25 mg/ml). Insoluble in water. |
| BRN | 4456797 |
| Hauptanwendungen | diagnostic assay manufacturinghematologyhistology |
| InChI | 1S/C10H6F3NO2/c11-10(12,13)7-4-9(15)16-8-3-5(14)1-2-6(7)8/h1-4H,14H2 |
| InChIKey | JBNOVHJXQSHGRL-UHFFFAOYSA-N |
| SMILES | Nc1ccc2c(OC(=O)C=C2C(F)(F)F)c1 |
| CAS Datenbank | 53518-15-3(CAS DataBase Reference) |
| EPA chemische Informationen | 2H-1-Benzopyran-2-one, 7-amino-4-(trifluoromethyl)- (53518-15-3) |
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)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | A skin and strong eye irritant[Alfa Aesar MSDS] See Coumarin. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29322090 |
| R-Sätze (R) | 36/37/38-20/21/22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Coumarin 151 is used to prepare peptidase substrates and for the synthesis of substrates for the fluorometric assay of proteolytic enzymes in biological fluids.