4-Chloro-2,6-dimethoxypyrimidine
4-CHLORO-2,6-DIMETHOXYPYRIMIDINE · NSC 31796 · AURORA KA-4916 · 4-diMethoxy pyriMidine · 6-chloro-2, 4-methoxypyrimidine · 6-chloro-2,4-dimethixypyrimidine · 6-CHLORO-2,4-DIMETHOXYPYRIMIDINE · 2,4-DIMETHOXY-6-CHLOROPYRIMIDINE
식별자 및 물리적 특성
| CAS No. | 6320-15-6 |
|---|---|
| 분자식 | C6H7ClN2O2 |
| 평균 분자량 | 174.58 g/mol |
| 단동위원소 질량 | 174.01960514 g/mol |
| SMILES | COc1cc(Cl)nc(OC)n1 |
| InChIKey | JHNRTJRDRWKAIW-UHFFFAOYSA-N |
| PubChem CID | 80600 |
| EC No. | 228-669-6 |
| DTXSID | DTXSID60212561 |
화학 및 물리적 성질
| XLogP | 1.8 |
|---|---|
| 극성 표면적 | 44.2 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 125 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| 녹는점 | 74-76 °C(lit.) |
| 끓는 점 | 280.6±43.0 °C(Predicted) |
| 밀도 | 1.285±0.06 g/cm3(Predicted) |
| 저장 조건 | Sealed in dry,Room Temperature |
| 용해도 | 클로로포름, 에틸 아세테이트 및 메탄올에 용해됩니다. |
| 물리적 상태 | 고체 |
| pKa(산도 계수) | -1.92±0.30(Predicted) |
| 색상 | 하얀색 |
| BRN | 137581 |
| InChI | InChI=1S/C6H7ClN2O2/c1-10-5-3-4(7)8-6(9-5)11-2/h3H,1-2H3 |
| InChIKey | JHNRTJRDRWKAIW-UHFFFAOYSA-N |
| SMILES | C1(OC)=NC(OC)=CC(Cl)=N1 |
화학적 성질
White powder or flakes
안전 및 규제
| GHS 분류 | WarningH315 (100%): 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| 수질 위해 등급(WGK) | 3 |
| 관세 코드 | 29335995 |
| 안전 문구(S) | 24/25 |
| 저장 분류 | 11 - Combustible Solids |
용도
개요
6-Chloro-2,4-dimethoxypyrimidine serves as a key intermediate in pharmaceuticals, pesticides and fine chemical engineering. It is commonly used in the synthesis of sulfonylurea herbicides , and also applied to the preparation of pyrimidine ring-containing pharmaceutically active molecules. In addition, it acts as a heterocyclic building block to participate in the construction of pyrimidine derivatives, which is suitable for the research, development and production of functional molecules in organic synthesis and materials chemistry.
용도
It is used in the synthesis of silyl and stannyl pyrimidines.