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2-Nitrophenethylalkohol
2-NitrophenethyL · 2-(2-Nitrophenyl)ethan-1-ol · Ncgc00090875-01 · o-Nitrophenylethanol · 2-nitro-benzeneethano · 2-Nitrobenzeneethanol · 2-nitrophenethyl alchol · 2-nitro-2-phenylethanol
Identifikatoren & physikalische Daten
| CAS No. | 15121-84-3 |
|---|---|
| Summenformel | C8H9NO3 |
| Durchschnittliche Molmasse | 167,16 g/mol |
| Monoisotopische Masse | 167,05824315 g/mol |
| SMILES | O=[N+]([O-])c1ccccc1CCO |
| InChIKey | SLRIOXRBAPBGEI-UHFFFAOYSA-N |
| PubChem CID | 27054 |
| ChEMBL | CHEMBL2137523 |
| EC No. | 239-178-1 |
| DTXSID | DTXSID2025763 |
| Lokaler Name | 2-Nitrophenethylalkohol |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 66,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 155 |
| Dichte | 1.19 (NTP, 1992) - Denser than waterwill sink1.19 g/mL at 25 °C(lit.) |
| Löslichkeit | less than 1 mg/mL at 73 °F (NTP, 1992) |
| Flammpunkt | greater than 230 °F (NTP, 1992)>230 °F |
| Siedepunkt | 513 °F at 760 mmHg (NTP, 1992)267 °C(lit.) |
| Schmelzpunkt | 36 °F (NTP, 1992)2 °C(lit.) |
| Dampfdruck | 1 mmHg at 81 °F1.5 mmHg at 84 °F4.5 mmHg at 124 °F (NTP, 1992) |
| Physical Description | O-nitrophenethyl alcohol appears as needles dark brown liquid. (NTP, 1992) |
| Brechungsindex | n20/D 1.5637(lit.) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 14.63±0.10(Predicted) |
| Stabilität | Stable. Incompatible with strong oxidizing agents. |
| InChI | 1S/C8H9NO3/c10-6-5-7-3-1-2-4-8(7)9(11)12/h1-4,10H,5-6H2 |
| InChIKey | SLRIOXRBAPBGEI-UHFFFAOYSA-N |
| SMILES | OCCc1ccccc1[N+]([O-])=O |
| CAS Datenbank | 15121-84-3(CAS DataBase Reference) |
| NIST chemische Informationen | Benzeneethanol, 2-nitro-(15121-84-3) |
| EPA chemische Informationen | 2-Nitrobenzeneethanol (15121-84-3) |
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, 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. |
|---|---|
| Brandgefahren | This chemical is probably combustible. (NTP, 1992) |
| Reaktive Gruppe | Alcohols and Polyols |
| Reactivity Profile | A nitrated alcohol. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides. |
| Air and Water Reactions | Insoluble in water. |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Brandbekämpfung | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| Erste Hilfe | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
| Freisetung ohne Brand | SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
Anwendungen & Verwendung
Verwenden
2-Nitrophenethyl alcohol was used in the synthesis of indoles.