产品说明
一般描述
Two excited state proton transfer mechanisms of 3-hydroxyisoquinoline (3HIQ) in cyclohexane and acetic acid has been investigated by time-dependent density functional theory (TDDFT). Spectral and photo physical properties of 3-HIQ in various protic/aprotic solvents were studied. Phototautomerization of 3-HIQ has been reported. Oxo-hydroxy tautomerism and phototautomerism of 3-HIQ has been studied using the matrix-isolation technique.
包装
1 g in glass bottle
基本信息
| 经验(实验)分子式 | C9H7NO |
| 分子量 | 145.16 |
| MDL编号 | MFCD00075524 |
| PubChem化学物质编号 | 24862944 |
| NACRES | NA.22 |
产品性质
| 质量水平 | 100 |
| 测定 | 99% |
| mp | 192-194 ℃ (lit.) |
| SMILES string | Oc1cc2ccccc2cn1 |
| InChI | 1S/C9H7NO/c11-9-5-7-3-1-2-4-8(7)6-10-9/h1-6H,(H,10,11) |
| InChI key | GYPOFOQUZZUVQL-UHFFFAOYSA-N |
安全信息
| 象形图 |   |
| 警示用语： | Danger |
| 危险声明 | H302 - H318 |
| 预防措施声明 | P280 - P305 + P351 + P338 |
| 危险分类 | Acute Tox. 4 Oral - Eye Dam. 1 |
| 储存分类代码 | 13 - Non Combustible Solids |
| WGK | WGK 3 |
| 闪点(F) | Not applicable |
| 闪点(C) | Not applicable |
| 个人防护装备 | dust mask type N95 (US), Eyeshields, Gloves |
Sigma-Aldrich
m.cnreagent.com
