HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Nitro-2,6-xylenol
Einecs 230-267-0 · 3-nitro-2,6-xylenol · Phenol, 2,6-dimethyl-3-nitro-
Identifikatoren & physikalische Daten
| CAS No. | 6994-63-4 |
|---|---|
| Summenformel | C8H9NO3 |
| Durchschnittliche Molmasse | 167,16 g/mol |
| Monoisotopische Masse | 167,05824315 g/mol |
| SMILES | Cc1ccc([N+](=O)[O-])c(C)c1O |
| InChIKey | TZASZCQVZPLXHP-UHFFFAOYSA-N |
| PubChem CID | 81476 |
| EC No. | 230-267-0 |
| DTXSID | DTXSID20220223 |
| Lokaler Name | 3-Nitro-2,6-xylenol |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 66,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 178 |
| Schmelzpunkt | 99-100 °C(Solv: benzene (71-43-2)) |
| Siedepunkt | 292.4±28.0 °C(Predicted) |
| Dichte | 1.263±0.06 g/cm3(Predicted) |
| pKa (Säurekonstante) | 9.45±0.28(Predicted) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, 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 | 2908190090 |
Anwendungen & Verwendung
Verwenden
3-nitro-2,6-Xylenol is a useful reactant and building block and has been used in the preparation of luminescent 10-carboxymethylacridinium derivatives.