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6-Methyl-1,3,5-triazin-2,4-diyldiamin
2,4-DIAMINO-6-METHYL-1,3,5-TRIAZINE · ACETOGUANAMINE · 6-Methylguanamine · Aceto-guanamine monomer · 6-Methyl-s-triazine-2,4-diamine · 2,4-amino-6-methyl-1,3,5-triazine · 5-triazine-2,4-diamine,6-methyl-3 · 4-Methyl-2,6-diamino-1,3,5-triazine
Identifikatoren & physikalische Daten
| CAS No. | 542-02-9 |
|---|---|
| Summenformel | C4H7N5 |
| Durchschnittliche Molmasse | 125,13 g/mol |
| Monoisotopische Masse | 125,07014524 g/mol |
| SMILES | Cc1nc(N)nc(N)n1 |
| InChIKey | NJYZCEFQAIUHSD-UHFFFAOYSA-N |
| PubChem CID | 10949 |
| ChEMBL | CHEMBL1738722 |
| ChEBI | CHEBI:72475 |
| EC No. | 208-796-3 |
| DTXSID | DTXSID5029186 |
| Lokaler Name | 6-Methyl-1,3,5-triazin-2,4-diyldiamin |
Chemische & physikalische Eigenschaften
| XLogP | -0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 90,7 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 85 |
| SpringerMaterials Properties | Chemical shift |
| Physical Description | Dry Powder |
| Schmelzpunkt | 274-276 °C(lit.) |
| Siedepunkt | 443.0±28.0 °C(Predicted) |
| Dichte | 1.391±0.06 g/cm3(Predicted) |
| Dampfdruck | 1.2Pa at 25℃ |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly, Heated)11.2g/L at 20℃ |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 4.49±0.10(Predicted) |
| Farbe | White to Off-White |
| BRN | 118348 |
| Stabilität | Stable. Incompatible with oxidizing agents, acids. |
| InChI | 1S/C4H7N5/c1-2-7-3(5)9-4(6)8-2/h1H3,(H4,5,6,7,8,9) |
| InChIKey | NJYZCEFQAIUHSD-UHFFFAOYSA-N |
| SMILES | Cc1nc(N)nc(N)n1 |
| LogP (Verteilungskoeffizient) | -0.88 at 20℃ |
| CAS Datenbank | 542-02-9(CAS DataBase Reference) |
| EPA chemische Informationen | 2,4-Diamino-6-methyl-s-triazine (542-02-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 6.1% (3 of 49) of reports.WarningH315 (93.9%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 1,3,5-Triazine-2,4-diamine, 6-methyl-1,3,5-Triazine-2,4-diamine, 6-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3,5-Triazine-2,4-diamine, 6-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)REACH registered substance: 6-methyl-1,3,5-triazine-2,4-diyldiamine (EC: 208-796-3)1,3,5-Triazine-2,4-diamine, 6-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Skin Irrit. 2 (93.9%) |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29339900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
6-Methyl-1,3,5-triazine-2,4-diamine may be used in the synthesis of s-Bodipy-triazine (BODIPY = 4,4-difluoro-4-borata-3a-azonia-4a-aza-s-indacene). It is a symmetric fluorescent sensor for Cu2+.