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4-Chlor-3-nitrobenzophenon
3-Nitro-4-chloro · LABOTEST-BB LT00159802 · 4-chloro-3-nitro-benzophenon · 4-Chloro-3-nitrobenzophenone · 3-NITRO-4-CHLORO BENZOPHENONE · 4-CHLOR-3-NITROBENZOPHENON 99% · Benzophenone, 4-chloro-3-nitro- · 3-NITRO-4-CHLORO DIPHENYL KETONE
Identifikatoren & physikalische Daten
| CAS No. | 56107-02-9 |
|---|---|
| Summenformel | C13H8ClNO3 |
| Durchschnittliche Molmasse | 261,66 g/mol |
| Monoisotopische Masse | 261,0192708 g/mol |
| SMILES | O=C(c1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 |
| InChIKey | YBDBYPQFIMSFJW-UHFFFAOYSA-N |
| PubChem CID | 41743 |
| ChEMBL | CHEMBL53270 |
| EC No. | 259-995-7 |
| DTXSID | DTXSID70204654 |
| Lokaler Name | 4-Chlor-3-nitrobenzophenon |
Chemische & physikalische Eigenschaften
| XLogP | 3,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 62,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 323 |
| Schmelzpunkt | 101-107 °C |
| Siedepunkt | 235 °C (13 mmHg) |
| Dichte | 1.3227 (rough estimate) |
| Brechungsindex | 1.5200 (estimate) |
| Flammpunkt | 233-235°C/12mm |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly, Sonicated) |
| Aggregatzustand | Solid |
| Farbe | Off-White to Pale Yellow |
| InChI | InChI=1S/C13H8ClNO3/c14-11-7-6-10(8-12(11)15(17)18)13(16)9-4-2-1-3-5-9/h1-8H |
| InChIKey | YBDBYPQFIMSFJW-UHFFFAOYSA-N |
| SMILES | C(C1=CC=C(Cl)C([N+]([O-])=O)=C1)(C1=CC=CC=C1)=O |
| CAS Datenbank | 56107-02-9(CAS DataBase Reference) |
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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Zollcode | 2914.79.4000 |
| RTECS-Nr. | DJ0425000 |
| R-Sätze (R) | 20/21 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 45-36/37/39-26-22 |
Anwendungen & Verwendung
Verwenden
(4-Chloro-3-nitrophenyl)phenyl-methanone is a useful starting material for organic synthesis.