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2-Nitrobenzylalkohol
(2-NITROPHENYL)METHANOL · O-NITROBENZYL ALCOHOL · oNBAIc · RARECHEM AL BD 0186 · 2-Nitrobenzyalcohol · o-nitro-benzylalcoho · O-NITROPHENYLCARBINOL · 2-NITROBENZYL ALCOHOL
Identifikatoren & physikalische Daten
| CAS No. | 612-25-9 |
|---|---|
| Summenformel | C7H7NO3 |
| Durchschnittliche Molmasse | 153,14 g/mol |
| Monoisotopische Masse | 153,04259308 g/mol |
| SMILES | O=[N+]([O-])c1ccccc1CO |
| InChIKey | BWRBVBFLFQKBPT-UHFFFAOYSA-N |
| PubChem CID | 11923 |
| ChEMBL | CHEMBL369485 |
| EC No. | 210-302-6 |
| DTXSID | DTXSID40210101 |
| Lokaler Name | 2-Nitrobenzylalkohol |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 66,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 143 |
| Stoffklassen | Nitrogen Compounds -> Other Aromatics (Nitrogen) |
| LogP (Verteilungskoeffizient) | 1.24 |
| Dampfdruck | 0.0000858 [mmHg] |
| Physical Description | Cream powder[Alfa Aesar MSDS] |
| Schmelzpunkt | 69-72 °C(lit.) |
| Siedepunkt | 270 °C(lit.) |
| Dichte | 1.3386 (rough estimate) |
| Brechungsindex | 1.5030 (estimate) |
| Flammpunkt | 168°C/20mm |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | soluble in MethanolSoluble in water 5000 mg/L 20 deg Celsius. |
| pKa (Säurekonstante) | 13.77±0.10(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | Beige to beige-brown |
| BRN | 2046649 |
| InChI | 1S/C7H7NO3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4,9H,5H2 |
| InChIKey | BWRBVBFLFQKBPT-UHFFFAOYSA-N |
| SMILES | OCc1ccccc1[N+]([O-])=O |
| CAS Datenbank | 612-25-9(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenemethanol, 2-nitro-(612-25-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (33.3%): 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)Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Benzenemethanol, 2-nitro-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A skin and strong eye irritant[Alfa Aesar MSDS] See Nitrobenzene. See Benzyl alcohol. |
| Hazard Classes and Categories | Acute Tox. 4 (33.3%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2811 6.1/PG 3 |
| Zollcode | 29062900 |
| RTECS-Nr. | DP0657050 |
| R-Sätze (R) | 11-34 |
| Gefahrensymbole | Xi,C,F |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 22-24/25-45-36/37/39-26-16 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
The o-nitrobenzyl group (o-NB) is utilized frequently in polymer and materials science. It covers the use of based cross-linkers for photodegradable hydrogels, o-NB side chain functionalization in (block) copolymers, o-NB side chain functionalization for thin film patterning, o-NB for self-assembled monolayers, photo cleavable block copolymers, and photo cleavable bioconjugates.