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4,4'-Dinitrobiphenyl
4,4’-dinitrobifenyl · 4,4-DINITROBIPHENYL · 4,4'-Dinitrobifenyl · 4,4’-dinitrodiphenyl · 4,4’-dinitro-bipheny · 4,4'-DINITROBIPHENYL · 4,4'-Dinitrodiphenyl · SALOR-INT L253294-1EA
Identifikatoren & physikalische Daten
| CAS No. | 1528-74-1 |
|---|---|
| Summenformel | C12H8N2O4 |
| Durchschnittliche Molmasse | 244,2 g/mol |
| Monoisotopische Masse | 244,04840674 g/mol |
| SMILES | O=[N+]([O-])c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 |
| InChIKey | BDLNCFCZHNKBGI-UHFFFAOYSA-N |
| PubChem CID | 15216 |
| ChEMBL | CHEMBL73297 |
| EC No. | 216-210-2 |
| DTXSID | DTXSID4061757 |
| Lokaler Name | 4,4'-Dinitrobiphenyl |
Chemische & physikalische Eigenschaften
| XLogP | 3,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 91,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 275 |
| Stoffklassen | Nitrogen Compounds -> Nitros, Aromatic |
| SpringerMaterials Properties | Boiling point |
| LogP (Verteilungskoeffizient) | 3.2 |
| Color/Form | NEEDLES FROM ALCOHOL |
| Löslichkeit | INSOL IN WATERSOL IN HOT ALCOHOL, BENZENE & ACETIC ACID |
| Schmelzpunkt | 240-243 °C242°C |
| Physical Description | Solid[HSDB] |
| Other Experimental Properties | UV: 2-287 (Organic Electronic Spectral Data, Phillips et al, John Wiley & Sons, New York) /Biphenyl, 2,4'-dinitro/UV: 2-287 (Organic Electronic Spectral Data, Phillips et al, John Wiley & Sons, New York) /Biphenyl, 3,3'-dinitro/UV: 2-287 (Organic Electronic Spectral Data, Phillips et al, John Wiley & Sons, New York) /Biphenyl, 3,4'dinitro/ |
| Siedepunkt | 387.12°C (rough estimate) |
| Dichte | 1.3468 (rough estimate) |
| Brechungsindex | 1.6360 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | powder to crystal |
| Farbe | White to Orange to Green |
| CAS Datenbank | 1528-74-1(CAS DataBase Reference) |
| EPA chemische Informationen | 1,1'-Biphenyl, 4,4'-dinitro- (1528-74-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | Emergency treatment: Methemoglobinemia[HSDB] Mild eye irritant in rabbits[RTECS] |
| Hazard Classes and Categories | Acute Tox. 4 (66.7%) |
| Unerwünschte Wirkungen | Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2904.20.4500 |
| RTECS-Nr. | DV4000000 |
| R-Sätze (R) | 20/21/22 |
| Sicherheitshinweise (S) | 22-36/37/39 |
| Gefahrstoffdaten | 1528-74-1(Hazardous Substances Data) |
Anwendungen & Verwendung
Verwenden
steroid hormone precursor