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2,5-Dimethylbenzol-1,4-diamin
2,5-DIMETHYL-P-PHENYLENEDIAMINE · 2,5-DIMETHYLBENZENE-1,4-DIAMINE · 2,5-DIMETHYL-1,4-PHENYLENEDIAMINE · 0/7/93 · AURORA KA-6569 · 2,5-DIAMINO-P-XYLENE · 1,4-DIAMINO-2,5-XYLENE · 4-AMINO-2,5-DIMETHYLANILINE
Identifikatoren & physikalische Daten
| CAS No. | 6393-01-7 |
|---|---|
| Summenformel | C8H12N2 |
| Durchschnittliche Molmasse | 136,19 g/mol |
| Monoisotopische Masse | 136,10004838 g/mol |
| SMILES | Cc1cc(N)c(C)cc1N |
| InChIKey | BWAPJIHJXDYDPW-UHFFFAOYSA-N |
| PubChem CID | 160824 |
| ChEMBL | CHEMBL1795410 |
| ChEBI | CHEBI:53613 |
| EC No. | 229-003-7 |
| DTXSID | DTXSID10213725 |
| Lokaler Name | 2,5-Dimethylbenzol-1,4-diamin |
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 | 99,8 |
| Schmelzpunkt | 149-150 °C (lit.) |
| Siedepunkt | 281.1±35.0 °C(Predicted) |
| Dichte | 1.076±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Sparingly), DMSO (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 6.14±0.10(Predicted) |
| Farbe | Brown to Dark Beige |
| InChI | InChI=1S/C8H12N2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,9-10H2,1-2H3 |
| InChIKey | BWAPJIHJXDYDPW-UHFFFAOYSA-N |
| SMILES | C1(N)=CC(C)=C(N)C=C1C |
| CAS Datenbank | 6393-01-7(CAS DataBase Reference) |
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, 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. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 20-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22978 |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2811 |
| Zollcode | 29215900 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-37/39-36/37/39 |
| Gefahrenklasse | 6.1(a)Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2,5-Dimethyl-1,4-phenylenediamine (cas# 6393-01-7) is a useful reagent for synthesis of novel Schiff-base type conjugative polymers.