Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2-Amino-4-methoxy-6-methyl-1,3,5-triazine
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
식별자 및 물리적 특성
| CAS No. | 1668-54-8 |
|---|---|
| 분자식 | C5H8N4O |
| 평균 분자량 | 140.14 g/mol |
| 단동위원소 질량 | 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 |
화학 및 물리적 성질
| XLogP | 0.3 |
|---|---|
| 극성 표면적 | 73.9 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 5 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 110 |
| 농약 | 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] |
| 녹는점 | 258-261 °C(lit.) |
| 끓는 점 | 114℃ |
| 밀도 | 1.2945 (rough estimate) |
| 굴절률 | 1.8300 (estimate) |
| 저장 조건 | under inert gas (nitrogen or Argon) at 2–8 °C |
| 용해도 | 클로로포름 (약간 용해됨), DMSO (약간 용해됨) |
| 물리적 상태 | 고체 |
| pKa(산도 계수) | 3.65±0.10(Predicted) |
| 색상 | 흰색에서 밝은 노란색 |
| 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 |
| EPA | 1,3,5-Triazin-2-amine, 4-methoxy-6-methyl- (1668-54-8) |
화학적 성질
off-white to light yellow powder
안전 및 규제
| GHS 분류 | 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. |
|---|---|
| 규제 정보 | 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%) |
| 수질 위해 등급(WGK) | 1 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | XY3193000 |
| 독성 | LD50 oral in mouse: 1010mg/kg |
| 관세 코드 | 29336990 |
| 위험 문구(R) | 22-36/37/38 |
| 위험 표시 | Xn |
| 안전 문구(S) | 26-36-37/39 |
| 위험 등급 | IRRITANTAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
2-Amino-4-methoxy-6-methyl-1,3,5-triazine may be used in the synthesis of thifensulfuron.
일반 설명
2-Amino-4-methoxy-6-methyl-1,3,5-triazine is formed during the photocatalytic decomposition of sulfonylurea (Sus) herbicide. It is also formed as a thermal decomposition product of chlorsulfuron (a sulfonylurea herbicide) and has been determined by GC using nitrogen-phosphorus detection (NPD).