HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Nitro-1-phenylpropene
P2NP · Phenyl-2-nitropropene · 2-NITROPROP-1-ENYLBENZENE · p2np powder pure · BETA-METHYLNITROSTYRENE · β-Methyl-β-nitrostyrene · 1-(PHENYL) 2-NITROPROPENE · 1-Phenyl-2-nitropropene (P2NP)
Identifikatoren & physikalische Daten
| CAS No. | 705-60-2 |
|---|---|
| Summenformel | C9H9NO2 |
| Durchschnittliche Molmasse | 163,17 g/mol |
| Monoisotopische Masse | 163,06332853 g/mol |
| SMILES | CC(=Cc1ccccc1)[N+](=O)[O-] |
| InChIKey | WGSVFWFSJDAYBM-UHFFFAOYSA-N |
| PubChem CID | 12807 |
| DTXSID | DTXSID1041188 |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 45,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 187 |
| Arzneimittel | Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | 63-65 °C (lit.) |
| Siedepunkt | 263.0±9.0 °C(Predicted) |
| Dichte | 1.141±0.06 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Acetone, Chloroform, Dichloromethane, Methanol |
| Aggregatzustand | Crystalline Powder |
| Farbe | Yellow |
| InChI | InChI=1S/C9H9NO2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-7H,1H3 |
| InChIKey | WGSVFWFSJDAYBM-BQYQJAHWSA-N |
| SMILES | C1(C=C([N+]([O-])=O)C)=CC=CC=C1 |
| NIST chemische Informationen | Benzene, (2-nitro-1-propenyl)-(705-60-2) |
| EPA chemische Informationen | (2-Nitro-1-propenyl)benzene (705-60-2) |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
|---|---|
| Zollcode | 29042090 |
| RTECS-Nr. | DA6495000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-37/39 |
Anwendungen & Verwendung
Verwenden
1-phenyl-2-nitropropene is used in the production of pharmaceuticals, for instance, for drug Adderall, a drug used to treat ADHD and narcolepsy.