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2,3-Dimethoxyphenol
2,3-DIMETHOXYPHENOL · 2,3-Dimethoxyphenol96% · Phenol, 2,3-dimethoxy- · 2,3-Dimethoxyphenol,99% · 2,3-Dimethoxyphenol 96% · 2,3-Dimethoxyphenol, 98%, · 2,3-DiMethoxyphenol, 99% 5GR · PYROGALLOL-1,2-DIMETHYL ETHER
Identifikatoren & physikalische Daten
| CAS No. | 25155-26-4 |
|---|---|
| Summenformel | C8H10O3 |
| Durchschnittliche Molmasse | 154,16 g/mol |
| Monoisotopische Masse | 154,06299418 g/mol |
| SMILES | COc1cccc(O)c1OC |
| InChIKey | QSZCGGBDNYTQHH-UHFFFAOYSA-N |
| PubChem CID | 78828 |
| ChEBI | CHEBI:193967 |
| EC No. | 225-922-2 |
| DTXSID | DTXSID001364326 |
| Lokaler Name | 2,3-Dimethoxyphenol |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 38,7 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 116 |
| SpringerMaterials Properties | Optical coefficient |
| Siedepunkt | 233-234 °C (lit.) |
| Dichte | 1.182 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.539(lit.) |
| Flammpunkt | 228 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Soluble in Chloroform. |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 9.59±0.10(Predicted) |
| Farbe | Clear orange to brown |
| BRN | 1910045 |
| InChI | 1S/C8H10O3/c1-10-7-5-3-4-6(9)8(7)11-2/h3-5,9H,1-2H3 |
| InChIKey | QSZCGGBDNYTQHH-UHFFFAOYSA-N |
| SMILES | COc1cccc(O)c1OC |
| LogP (Verteilungskoeffizient) | 1.143 (est) |
| CAS Datenbank | 5150-42-5(CAS DataBase Reference) |
| NIST chemische Informationen | 2,3-Dimethoxyphenol(5150-42-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29095000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-37/39-37 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2,3-Dimethoxyphenol is used to study the nitrosative deamination of DNA bases induced by reactive nitrogen species (RNS) while studying the cause of mutagenesis.