4,5-다이메톡시-2-니트로벤질알코올
4,5-다이메톡시-2-니트로벤질알코올 · 4,5- dimethoxy-2-nitro benzyl alchohol · (4,5-Dimethoxy-2-nitro-phenyl)-methanol · TIMTEC-BB SBB009964 · RARECHEM AL BD 0187 · LABOTEST-BB LT00847721 · 6-NITROVERATRYL ALCOHOL · 4,5-Dimethoxy-2-nitrobenzyL
식별자 및 물리적 특성
| CAS No. | 1016-58-6 |
|---|---|
| 분자식 | C9H11NO5 |
| 평균 분자량 | 213.19 g/mol |
| 단동위원소 질량 | 213.06372245 g/mol |
| SMILES | COc1cc(CO)c([N+](=O)[O-])cc1OC |
| InChIKey | WBSCOJBVYHQOFB-UHFFFAOYSA-N |
| PubChem CID | 66097 |
| EC No. | 213-806-4 |
| DTXSID | DTXSID50144044 |
| 현지명 | 4,5-다이메톡시-2-니트로벤질알코올 |
화학 및 물리적 성질
| XLogP | 0.8 |
|---|---|
| 극성 표면적 | 84.5 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 5 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 15 |
| 형식 전하 | 0 |
| 복잡도 | 217 |
| 물질 분류 | Nitrogen Compounds -> Other Aromatics (Nitrogen) |
| Physical Description | Beige powder[Sigma-Aldrich MSDS] |
| 녹는점 | 145-148 °C (lit.) |
| 끓는 점 | 383.9±37.0 °C(Predicted) |
| 밀도 | 1.307±0.06 g/cm3(Predicted) |
| 저장 조건 | Keep in dark place,Sealed in dry,Room Temperature |
| 물리적 상태 | powder to crystal |
| pKa(산도 계수) | 13.59±0.10(Predicted) |
| 색상 | White to Yellow to Green |
| 용해도 | 물에 용해됩니다. |
| BRN | 1880093 |
| InChI | 1S/C9H11NO5/c1-14-8-3-6(5-11)7(10(12)13)4-9(8)15-2/h3-4,11H,5H2,1-2H3 |
| InChIKey | WBSCOJBVYHQOFB-UHFFFAOYSA-N |
| SMILES | COc1cc(CO)c(cc1OC)[N+]([O-])=O |
화학적 성질
white to light yellow crystal powde
안전 및 규제
| 유해성 요약 | May cause irritation[Sigma-Aldrich MSDS] |
|---|---|
| 수질 위해 등급(WGK) | 3 |
| 관세 코드 | 29094990 |
| 안전 문구(S) | 22-24/25 |
| 위험 등급 | IRRITANT |
| F 고인화성물질 | 8 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
4,5-Dimethoxy-2-nitrobenzyl alcohol, is used as Reagent for the protection of alcohols, etc., as ethers which can be cleaved by photolysis involving intramolecular rearrangement to derivatives of o-nitrosobenzaldehyde, which are readily cleaved by hydrolysis. It is also used as photochemical protecting groups in organic synthesis. It is also used as a pharmaceutical intermediate.
일반 설명
4,5-Dimethoxy-2-nitrobenzyl alcohol (6-Nitroveratryl Alcohol) is 2-nitrobenzyl alcohol derivative. It has been reported to be one of the oxidation products of veratryl (3,4-dimethoxybenzyl) alcohol by lignin peroxidase (isolated from Phanerochaete chrysosporium).