HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Amino-5-bromobenzophenone
IFLAB-BB F1386-0357 · 2-BENZOYL-4-BROMOANILINE · 5-BROMO-2-AMINOBENZOPHENONE · 2-Amino-5-bromobenzophenone · 2-Benzoyl-4-BromoAniline NO · 2-Benzoyl-4-bromobenzenamine · 2-Amino-5-bromobenzophenone, >=97% · Methanone, (2-amino-5-bromophenyl)phenyl-
Identifikatoren & physikalische Daten
| CAS No. | 39859-36-4 |
|---|---|
| Summenformel | C13H10BrNO |
| Durchschnittliche Molmasse | 276,13 g/mol |
| Monoisotopische Masse | 274,99457604 g/mol |
| SMILES | Nc1ccc(Br)cc1C(=O)c1ccccc1 |
| InChIKey | LXJVUGANBDAASB-UHFFFAOYSA-N |
| PubChem CID | 99677 |
| ChEMBL | CHEMBL1329934 |
| EC No. | 675-752-1 |
| DTXSID | DTXSID50192909 |
Chemische & physikalische Eigenschaften
| XLogP | 3,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 43,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 250 |
| Schmelzpunkt | 109-113℃ |
| Siedepunkt | 424.6±35.0 °C(Predicted) |
| Dichte | 1.484±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | DMF: 30 mg/mlDMSO: 30 mg/mlEthanol: 30 mg/ml |
| pKa (Säurekonstante) | -0.01±0.10(Predicted) |
| Aggregatzustand | Powder |
| Farbe | Yellow |
| InChI | InChI=1S/C13H10BrNO/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h1-8H,15H2 |
| InChIKey | LXJVUGANBDAASB-UHFFFAOYSA-N |
| SMILES | C(C1=CC(Br)=CC=C1N)(C1=CC=CC=C1)=O |
| CAS Datenbank | 39859-36-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (25%) |
| Zollcode | 2922.39.4500 |
| R-Sätze (R) | 36/37/38 |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Gefahrenklasse | 6.1 |
Anwendungen & Verwendung
Verwenden
2-Amino-5-bromobenzophenone is a benzophenone (B204980) derivative that is widely used in the synthesis of pharmaceutical compounds.