4-Methoxy-6-methyl-1,3,5-triazin-2-amin
2-Amino-4-methoxy-6-methyl-1,3,5-triazine
Grundinformationen
- CAS
1668-54-8- Standard-SMILES
COc1nc(C)nc(N)n1- InChIKey
NXFQWRWXEYTOTK-UHFFFAOYSA-N- Summenformel
- C5H8N4O
- Durchschnittliche Molmasse
- 140,14 g/mol
- Monoisotopische Masse
- 140,06981088
Überblick
2-methyl-4-amino-6-methoxy-s-triazine is a monoamino-1,3,5-triazine that is 1,3,5-triazin-2-amine substituted by a methoxy group at position 4 and a methyl group at position 6. It is a metabolite of the herbicide thifensulfuron-methyl. It has a role as a marine xenobiotic metabolite. It is an aromatic ether and a monoamino-1,3,5-triazine.
Namen und Bezeichner
- Bevorzugter Name
- 2-Amino-4-methoxy-6-methyl-1,3,5-triazine
- IUPAC
- 4-methoxy-6-methyl-1,3,5-triazin-2-amine
- Lokaler Name
- 4-Methoxy-6-methyl-1,3,5-triazin-2-amin
- Englischer Name
- 2-Amino-4-methoxy-6-methyl-1,3,5-triazine
- Summenformel
- C5H8N4O
- Molmasse
- 140.14
Namen und Synonyme
2-Amino-4-methoxy-6-methyl-1,3,5-triazine1668-54-84-Methoxy-6-methyl-1,3,5-triazin-2-amine1,3,5-Triazin-2-amine, 4-methoxy-6-methyl-CV 399DTXSID4041230s-Triazine, 2-amino-4-methoxy-6-methyl-395VJ06RC4DTXCID2021230CV-399RefChem:464315216-790-7
Weitere Namen anzeigen
2-amino-4-methoxy-6-methyl-s-triazin2-Amino-4-methyl-6-methoxy-s-triazine2-AMINO-4-METHOXY-6-METHYL-1,3,5-TRIAZINcv399CGA-150829Homotriazine2-AMino-4-Meth-1,3,5-triazine
2-Methyl-4-amino-6-methoxy-s-triazine2-Amino-4-methyl-6-methoxy-1,3,5-triazineMFCD00052764Triazine amine (IN-A4098)AE F0594112-amino-4-methoxy-6methyl-1,3,5-triazine2-amino-4-methoxy6-methyl-1,3,5-triazine2-AMINO-4-METHOXY-6-METHYL-S-TRIAZINE
Datenbank-Bezeichner
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,3
- Polarare Oberfläche (TPSA)
- 73,9 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 110
Experimentelle und physikochemische Eigenschaften
Pesticides
Pesticides -> Herbicides -> Urea herbicides -> Sulfonylurea herbicides -> Transformation products
Environmental transformation -> Pesticide transformation products (metabolite, successor)
Physical DescriptionCBI
Collision Cross Section123.4 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID4041230]
Physikochemische Eigenschaften
- Schmelzpunkt
- 258 · 258-261 °C(lit.)
- Siedepunkt
- 114 ℃ · 114℃
- Dichte
- 1.2945 · 1.2945 (rough estimate)
- Brechungsindex
- 1.83 · 1.8300 (estimate)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- Löslichkeit
- Chloroform (Slightly), DMSO (Slightly)
- Aggregatzustand
- Solid
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H302 (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.
Gefahrenhinweise
Regulatory Information
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 CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- wgk
- 1
- tsca
- TSCA listed
- hs_code
- 29336990
- RTECS-Nr.
- XY3193000
- risk_code
- 22-36/37/38
- Toxizität
- LD50 oral in mouse: 1010mg/kg
- hazard_code
- Xn
- safety_code
- 26-36-37/39
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: 250,000 - <550,000 lb
Industry UsesIntermediates
Use Classification
Pesticides -> Herbicides -> Urea herbicides -> Sulfonylurea herbicides -> Transformation products
Environmental transformation -> Pesticide transformation products (metabolite, successor)
General Manufacturing Information
Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing
1,3,5-Triazin-2-amine, 4-methoxy-6-methyl-: ACTIVE
Anwendungen
Verwenden2-Amino-4-methoxy-6-methyl-1,3,5-triazine may be used in the synthesis of thifensulfuron.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
105
Notizen zur Verbindung
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