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N-Methylbenzol-1,2-diamin
N1-methylbenzene-1,2-diamine · N-METHYL-1,2-PHENYLENEDIAMINE · N-1-met · -1,2-phenyL · N-methyl-O-Phenyl · Telmisartan Impurity S · 2-(methylamino)aniline · 2-amino-n-methylaniline
Identifikatoren & physikalische Daten
| CAS No. | 4760-34-3 |
|---|---|
| Summenformel | C7H10N2 |
| Durchschnittliche Molmasse | 122,17 g/mol |
| Monoisotopische Masse | 122,08439832 g/mol |
| SMILES | CNc1ccccc1N |
| InChIKey | RPKCLSMBVQLWIN-UHFFFAOYSA-N |
| PubChem CID | 78498 |
| EC No. | 225-297-6 |
| DTXSID | DTXSID1043756 |
| Lokaler Name | N-Methylbenzol-1,2-diamin |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 38,1 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 83 |
| Schmelzpunkt | 22 °C (lit.) |
| Siedepunkt | 123-124 °C/10 mmHg (lit.) |
| Dichte | 1.075 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.612(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| pKa (Säurekonstante) | 6.17±0.10(Predicted) |
| Aggregatzustand | Liquid |
| Farbe | Clear yellow to red to dark brown |
| InChI | 1S/C7H10N2/c1-9-7-5-3-2-4-6(7)8/h2-5,9H,8H2,1H3 |
| InChIKey | RPKCLSMBVQLWIN-UHFFFAOYSA-N |
| SMILES | CNc1ccccc1N |
| CAS Datenbank | 4760-34-3(CAS DataBase Reference) |
| EPA chemische Informationen | 1,2-Benzenediamine, N-methyl- (4760-34-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29215900 |
| RTECS-Nr. | ST2770000 |
| R-Sätze (R) | 20/21/22-36/38-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2 |
Anwendungen & Verwendung
Verwenden
N-Methyl-1,2-phenylenediamine may be used in the following studies:One-pot synthesis of 1-methyl-2(hetero)arylbenzimidazoles.Preparation of 1-methyl-1H-benzimidazole-2(3H)-thione.Total synthesis of the angiotensin II receptor antagonist, telmisartan. Preparation of benzimidazoles from ketene dithioacetals.