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4-Methoxybenzol-1,2-diamindihydrochlorid
3,4-DIAMINANISOLEHCL · 4-Methoxy-2-amino-aniline HCl · 3,4-DIAMINANISOLE HYDROCHORIDE · 4-Methoxy-o-phenylenediamine2HCl · 3,4-DIAMINOANISOLE DIHYDROCHLORIDE · Omeprazole Impurity 22(Dihydrochloride) · 4-Methoxy-1,2-benzenediamine hydrochloride · 3,4-DiaMinoanisole dihydrochloride, 98% 1GR
Identifikatoren & physikalische Daten
| CAS No. | 59548-39-9 |
|---|---|
| Summenformel | C7H12Cl2N2O |
| Durchschnittliche Molmasse | 211,09 g/mol |
| Monoisotopische Masse | 210,03266836 g/mol |
| SMILES | COc1ccc(N)c(N)c1.Cl.Cl |
| InChIKey | SXCHMHOBHJOXGC-UHFFFAOYSA-N |
| PubChem CID | 3085161 |
| EC No. | 261-801-0 |
| DTXSID | DTXSID80208229 |
| Lokaler Name | 4-Methoxybenzol-1,2-diamindihydrochlorid |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 61,3 |
|---|---|
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 108 |
| Schmelzpunkt | 206-209 °C (dec.)(lit.) |
| Lagerbedingungen | 2-8°C |
| Farbe | Pink |
| Löslichkeit | Soluble in water. |
| BRN | 3699636 |
| InChI | 1S/C7H10N2O.2ClH/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,8-9H2,1H32*1H |
| InChIKey | SXCHMHOBHJOXGC-UHFFFAOYSA-N |
| SMILES | Cl.Cl.COc1ccc(N)c(N)c1 |
| CAS Datenbank | 59548-39-9(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (13.3%): 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 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (13.3%) |
| F | 3-10 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2811 |
| Zollcode | 29222900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | 6.1(b)Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Methoxy-o-phenylenediamine is widely used as an intermediate in organic synthesis and pharmaceuticals. It is an important precursor for the synthesis of other heterocyclic compounds. It is used in the determination of glyoxal, methylglyoxal, and diacetyl in urine using 4-methoxy-o-phenylenediamine as derivatizing reagent by High-performance liquid chromatography (HPLC).