HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Methoxy-o-phenylenediamine
1,2-Diamino-4-methoxybenzene · 3,4-DiaminoanisoL · 3,4-DIAMINO ANISOLE · 3,4-Diaminoanisidine · 4-Methoxy-2-aMinoaniline · 2-Amino-4-methoxy aniline · 2-DiaMino-4-Methoxybenzene · 4-methoxy-2-benzenediamine
Identifikatoren & physikalische Daten
| CAS No. | 102-51-2 |
|---|---|
| Summenformel | C7H10N2O |
| Durchschnittliche Molmasse | 138,17 g/mol |
| Monoisotopische Masse | 138,07931294 g/mol |
| SMILES | COc1ccc(N)c(N)c1 |
| InChIKey | AGAHETWGCFCMDK-UHFFFAOYSA-N |
| PubChem CID | 153404 |
| EC No. | 600-319-0 |
| DTXSID | DTXSID00144514 |
Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 61,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 108 |
| Schmelzpunkt | 46-48°C |
| Siedepunkt | 253.57°C (rough estimate) |
| Dichte | 1.1315 (rough estimate) |
| Brechungsindex | 1.5200 (estimate) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,2-8°C |
| Löslichkeit | Soluble in dimethyl sulfoxide and methanol. |
| Aggregatzustand | Solid |
| Farbe | Dark Brown to Black Oil |
| InChI | InChI=1S/C7H10N2O/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,8-9H2,1H3 |
| InChIKey | AGAHETWGCFCMDK-UHFFFAOYSA-N |
| SMILES | C1(N)=CC=C(OC)C=C1N |
| CAS Datenbank | 102-51-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301+H311+H331 (11.1%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 9 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (66.7%) |
| UN-Transportnummer | 2811 |
| Zollcode | 2922190090 |
| R-Sätze (R) | 23/24/25-36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 6.1 |
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 a derivatizing reagent by High-performance liquid chromatography (HPLC).