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4-Methoxy-6-methyl-1,3,5-triazin-2-amin
4-Methoxy-6-methyl-1,3,5-triazin-2-amine · 2-amino-4-methoxy-6-methyl-s-triazin · 2-methyl-4-amino-6-methoxy-s-triazine · 2-Amino-4-methyl-6-methoxy-s-triazine · 2-AMINO-4-METHOXY-6-METHYL-1,3,5-TRIAZIN · cv399 · CGA-150829 · Homotriazine
Identifikatoren & physikalische Daten
| CAS No. | 1668-54-8 |
|---|---|
| Summenformel | C5H8N4O |
| Durchschnittliche Molmasse | 140,14 g/mol |
| Monoisotopische Masse | 140,06981088 g/mol |
| SMILES | COc1nc(C)nc(N)n1 |
| InChIKey | NXFQWRWXEYTOTK-UHFFFAOYSA-N |
| PubChem CID | 15466 |
| ChEMBL | CHEMBL3188290 |
| ChEBI | CHEBI:83511 |
| EC No. | 216-790-7 |
| DTXSID | DTXSID4041230 |
| Lokaler Name | 4-Methoxy-6-methyl-1,3,5-triazin-2-amin |
Chemische & physikalische Eigenschaften
| XLogP | 0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 73,9 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 110 |
| Pestizide | Pesticides -> Herbicides -> Urea herbicides -> Sulfonylurea herbicides -> Transformation productsEnvironmental transformation -> Pesticide transformation products (metabolite, successor) |
| Physical Description | CBI |
| Collision Cross Section | 123.4 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID4041230] |
| Schmelzpunkt | 258-261 °C(lit.) |
| Siedepunkt | 114℃ |
| Dichte | 1.2945 (rough estimate) |
| Brechungsindex | 1.8300 (estimate) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| Löslichkeit | Chloroform (Slightly), DMSO (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 3.65±0.10(Predicted) |
| Farbe | White to Light Yellow |
| InChI | InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9) |
| InChIKey | NXFQWRWXEYTOTK-UHFFFAOYSA-N |
| SMILES | N1=C(C)N=C(OC)N=C1N |
| CAS Datenbank | 1668-54-8(CAS DataBase Reference) |
| EPA chemische Informationen | 1,3,5-Triazin-2-amine, 4-methoxy-6-methyl- (1668-54-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, 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 83 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Regulation (EC) No 1107/2009 (amended)1,3,5-Triazin-2-amine, 4-methoxy-6-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3,5-Triazin-2-amine, 4-methoxy-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)PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance. |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29336990 |
| RTECS-Nr. | XY3193000 |
| R-Sätze (R) | 22-36/37/38 |
| Toxizität | LD50 oral in mouse: 1010mg/kg |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Gefahrenklasse | IRRITANTAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Amino-4-methoxy-6-methyl-1,3,5-triazine may be used in the synthesis of thifensulfuron.