Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
1,3,5-Triazin-2-amine, 4-methoxy-N,6-dimethyl-
N-methyltriazine · 4-Methoxy-N,6-dimeth · Tribenuron Impurity 1 · 4-Methoxy-N,6-dimethyL · -1,3,5-triazin-2-amine · 2-Methylamino-4-Methoxy-6-MethylTriazine · 5-triazin-2-amine,4-methoxy-n,6-dimethyl-3 · 2-methoxy-4-methyl-6-methylamino-s-triazine
식별자 및 물리적 특성
| CAS No. | 5248-39-5 |
|---|---|
| 분자식 | C6H10N4O |
| 평균 분자량 | 154.17 g/mol |
| 단동위원소 질량 | 154.08546096 g/mol |
| SMILES | CNc1nc(C)nc(OC)n1 |
| InChIKey | MNDSUSQBIDHEJU-UHFFFAOYSA-N |
| PubChem CID | 160779 |
| EC No. | 401-360-5 |
| DTXSID | DTXSID3073345 |
화학 및 물리적 성질
| XLogP | 1 |
|---|---|
| 극성 표면적 | 59.9 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 5 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 121 |
| 농약 | Environmental transformation -> Pesticide transformation products (metabolite, successor) |
| Physical Description | CBI |
| 녹는점 | 162-166 °C(lit.) |
| 끓는 점 | 304.9±25.0 °C(Predicted) |
| 밀도 | 1.196±0.06 g/cm3(Predicted) |
| 저장 조건 | Keep in dark place,Inert atmosphere,Room temperature |
| 용해도 | DMSO (Slightly, Heated), Methanol (Slightly, Heated) |
| 물리적 상태 | 고체 |
| pKa(산도 계수) | 3.80±0.10(Predicted) |
| 색상 | 페일베이지 |
| InChI | InChI=1S/C6H10N4O/c1-4-8-5(7-2)10-6(9-4)11-3/h1-3H3,(H,7,8,9,10) |
| InChIKey | MNDSUSQBIDHEJU-UHFFFAOYSA-N |
| SMILES | N1=C(C)N=C(OC)N=C1NC |
| EPA | 1,3,5-Triazin-2-amine, 4-methoxy-N,6-dimethyl- (5248-39-5) |
안전 및 규제
| GHS 분류 | WarningH302: Harmful if swallowed [Warning Acute toxicity, oral]P260, P264, P270, P301+P317, P319, P330, and P501 (click each P-code to see the statement)H302+H312 (100%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oralacute toxicity, dermal]P260, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P319, P321, P330, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement) |
|---|---|
| 규제 정보 | Commission Regulation No 844/20121,3,5-Triazin-2-amine, 4-methoxy-N,6-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3,5-Triazin-2-amine, 4-methoxy-N,6-dimethyl- 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.REACH registered substance: 4-methoxy-N,6-dimethyl-1,3,5-triazin-2-ylamine (EC: 401-360-5) |
| Hazard Classes and Categories | Acute Tox. 4 (100%)Acute toxicity - category 4Acute Tox. 4 * |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | XY2905180 |
| 관세 코드 | 2933698090 |
| 위험 문구(R) | 22-36/37/38-48-48/22-37-21/22 |
| 위험 표시 | Xn |
| 안전 문구(S) | 26-36-22-2-36/37 |
용도
용도
4-Methoxy-n,6-dimethyl-1,3,5-triazin-2-amine is a metabolite of tribenuron-methyl used in herbicidal formulations or used as herbicides.