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(2-Amino-3,5-dimethylphenyl)amine
3,5-dimethyl-1,2-diamino benzene · m-Xylene-4,5-diamine · 1,2-Diamino-3,5-dimethylbenzene · 3,5-DIMETHYLBENZENE-1,2-DIAMINE · 4,6-dimethyl-o-phenylenediamine · 3,4-dimethyl-1,2-diamino benzene · 3,5-Dimethyl-1,2-phenylenediamine · 1,2-Benzenediamine, 3,5-dimethyl-
Identifikatoren & physikalische Daten
| CAS No. | 3171-46-8 |
|---|---|
| Summenformel | C8H12N2 |
| Durchschnittliche Molmasse | 136,19 g/mol |
| Monoisotopische Masse | 136,10004838 g/mol |
| SMILES | Cc1cc(C)c(N)c(N)c1 |
| InChIKey | DMEPVFSJYHJGCD-UHFFFAOYSA-N |
| PubChem CID | 3613321 |
| EC No. | 689-645-2 |
| DTXSID | DTXSID00394198 |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 52 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 114 |
| Schmelzpunkt | 73-78℃ |
| Siedepunkt | 272.1±35.0 °C(Predicted) |
| Dichte | 1.076±0.06 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | 4.45±0.10(Predicted) |
| Aggregatzustand | solid |
| InChI | 1S/C8H12N2/c1-5-3-6(2)8(10)7(9)4-5/h3-4H,9-10H2,1-2H3 |
| InChIKey | DMEPVFSJYHJGCD-UHFFFAOYSA-N |
| SMILES | Cc1cc(C)c(N)c(N)c1 |
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, 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 41 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 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2921599090 |
| R-Sätze (R) | 22-36/37/38 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26 |
| Gefahrenklasse | IRRITANTAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3,5-Dimethylbenzene-1,2-diamine is a useful reagent for the synthesis of benzimidazoles and benzimidazole conjugates.