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4-Methyl-3-nitrobenzylalkohol
RARECHEM AL BD 0233 · 4-Methyl-3-nitrobenzyl alcohol · 3-Nitro-4-methylbenzyl alcohol · (4-Methyl-3-nitrophenyl)methanol · Benzenemethanol, 4-methyl-3-nitro- · 4-Methyl-3-nitrobenzyl alcohol,99% · (4-Methyl-3-nitrophenyl)methanol - [M71922]
Identifikatoren & physikalische Daten
| CAS No. | 40870-59-5 |
|---|---|
| Summenformel | C8H9NO3 |
| Durchschnittliche Molmasse | 167,16 g/mol |
| Monoisotopische Masse | 167,05824315 g/mol |
| SMILES | Cc1ccc(CO)cc1[N+](=O)[O-] |
| InChIKey | URCWIFSXDARYLY-UHFFFAOYSA-N |
| PubChem CID | 123497 |
| EC No. | 255-120-8 |
| DTXSID | DTXSID80193843 |
| Lokaler Name | 4-Methyl-3-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 | 12 |
| Formalladung | 0 |
| Komplexität | 166 |
| Schmelzpunkt | 39-43 °C (lit.) |
| Siedepunkt | 195°C/20mmHg(lit.) |
| Dichte | 1.272±0.06 g/cm3(Predicted) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 13.83±0.10(Predicted) |
| Farbe | White to Yellow to Green |
| InChI | 1S/C8H9NO3/c1-6-2-3-7(5-10)4-8(6)9(11)12/h2-4,10H,5H2,1H3 |
| InChIKey | URCWIFSXDARYLY-UHFFFAOYSA-N |
| SMILES | Cc1ccc(CO)cc1[N+]([O-])=O |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2906290090 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Methyl-3-nitrobenzyl alcohol may be used in chemical synthesis.