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1-(2-Nitrophenyl)ethanol
NSC 47195 · 1-(2-Nitrophenyl) · 1-(2-Nitrophenyl)ethan-1-ol · alpha-(2-Nitrophenyl)ethanol · rac-1-(2-Nitrophenyl)ethanol · 2-Nitro-α-methylbenzyl Alcohol · α-Methyl-2-nitrobenzyl Alcohol · 1-(2-Nitrophenyl)ethyl Alcohol
Identifikatoren & physikalische Daten
| CAS No. | 3205-25-2 |
|---|---|
| Summenformel | C8H9NO3 |
| Durchschnittliche Molmasse | 167,16 g/mol |
| SMILES | CC(O)c1ccccc1[N+](=O)[O-] |
| InChIKey | DSDBYQDNNWCLHL-UHFFFAOYSA-N |
| PubChem CID | 97851 |
| EC No. | 830-342-3 |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 66,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 166 |
| Schmelzpunkt | 40-41℃ |
| Siedepunkt | 106-107°C 1mmHg. |
| Dichte | 1.2300 g/cm3 (20 ºC) |
| Brechungsindex | 1.5572 (589.3 nm 20℃) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Dichloromethane, Ether, Ethyl Acetate, Methanol |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 13.84±0.20(Predicted) |
| Farbe | Pale Yellow |
| InChI | InChI=1S/C8H9NO3/c1-6(10)7-4-2-3-5-8(7)9(11)12/h2-6,10H,1H3 |
| InChIKey | DSDBYQDNNWCLHL-UHFFFAOYSA-N |
| SMILES | C(C1C=CC=CC=1N(=O)=O)(O)C |
| CAS Datenbank | 3205-25-2 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Zollcode | 2906290090 |
Anwendungen & Verwendung
Verwenden
(R,S)-1-(2-Nitrophenyl)ethanol (cas# 3205-25-2) is a compound useful in organic synthesis.