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2-Amino-5-chlor-2'-fluorbenzophenon
2--5--2''- · Fluoroamino ketone · TIMTEC-BB SBB003151 · 2-Amino-5-chloro-2'- · Lorazepam Impurity 23 · LABOTEST-BB LT00441141 · 2-Amino-5-chloro-2'-fluorobenz · 2-Amino-5-chlor-2'-fluorbenzophenon
Identifikatoren & physikalische Daten
| CAS No. | 784-38-3 |
|---|---|
| Summenformel | C13H9ClFNO |
| Durchschnittliche Molmasse | 249,67 g/mol |
| Monoisotopische Masse | 249,03566981 g/mol |
| SMILES | Nc1ccc(Cl)cc1C(=O)c1ccccc1F |
| InChIKey | GTGMXPIQRQSORU-UHFFFAOYSA-N |
| PubChem CID | 69912 |
| ChEMBL | CHEMBL3183508 |
| EC No. | 212-316-8 |
| DTXSID | DTXSID5057832 |
| Lokaler Name | 2-Amino-5-chlor-2'-fluorbenzophenon |
Chemische & physikalische Eigenschaften
| XLogP | 3,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 43,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 287 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | 95-98 °C(lit.) |
| Siedepunkt | 207C |
| Dichte | 1.3134 (estimate) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | -1.05±0.10(Predicted) |
| Farbe | Yellow |
| InChI | InChI=1S/C13H9ClFNO/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15/h1-7H,16H2 |
| InChIKey | GTGMXPIQRQSORU-UHFFFAOYSA-N |
| SMILES | C(C1=CC(Cl)=CC=C1N)(C1=CC=CC=C1F)=O |
| CAS Datenbank | 784-38-3(CAS DataBase Reference) |
| NIST chemische Informationen | Methanone, (2-amino-5-chlorophenyl)(2-fluorophenyl)-(784-38-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 7.8% (4 of 51) of reports.WarningH315 (92.2%): 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 51 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 11-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/17982Methanone, (2-amino-5-chlorophenyl)(2-fluorophenyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (92.2%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29223990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39-24/25-36/37 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
A starting material for the synthesis of diazepam and other benzodiazepines