401649-63-6
中文名称
4-(TRIFLUOROMETHYL)-1,2-DIHYDRO-6-(4-METHOXYPHENYL)-2-THIOXOPYRIDINE-3-CARBONITRILE
英文名称
4-(TRIFLUOROMETHYL)-1,2-DIHYDRO-6-(4-METHOXYPHENYL)-2-THIOXOPYRIDINE-3-CARBONITRILE
CAS
401649-63-6
分子式
C14H9F3N2OS
分子量
310.29
MOL 文件
401649-63-6.mol
结构式
基本信息
中文别名
英文别名
AKOS USSH-4110022
6-(4-methoxyphenyl)-2-sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile
6-(4-METHOXYPHENYL)-2-THIOXO-4-(TRIFLUOROMETHYL)-1,2-DIHYDRO-3-PYRIDINECARBONITRILE
4-(TRIFLUOROMETHYL)-1,2-DIHYDRO-6-(4-METHOXYPHENYL)-2-THIOXOPYRIDINE-3-CARBONITRILE
3-Pyridinecarbonitrile, 1,2-dihydro-6-(4-methoxyphenyl)-2-thioxo-4-(trifluoromethyl)-
6-(4-methoxyphenyl)-2-sulfanylidene-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
6-(4-methoxyphenyl)-2-sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile
6-(4-METHOXYPHENYL)-2-THIOXO-4-(TRIFLUOROMETHYL)-1,2-DIHYDRO-3-PYRIDINECARBONITRILE
4-(TRIFLUOROMETHYL)-1,2-DIHYDRO-6-(4-METHOXYPHENYL)-2-THIOXOPYRIDINE-3-CARBONITRILE
3-Pyridinecarbonitrile, 1,2-dihydro-6-(4-methoxyphenyl)-2-thioxo-4-(trifluoromethyl)-
6-(4-methoxyphenyl)-2-sulfanylidene-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
物理化学性质
| 熔点 | 215-217 °C(Solv: ethanol (64-17-5)) |
| 沸点 | 354.2±52.0 °C(Predicted) |
| 密度 | 1.43±0.1 g/cm3(Predicted) |
| 酸度系数(pKa) | 5.88±0.70(Predicted) |
| 形态 | solid |
| InChI | 1S/C14H9F3N2OS/c1-20-9-4-2-8(3-5-9)12-6-11(14(15,16)17)10(7-18)13(21)19-12/h2-6H,1H3,(H,19,21) |
| InChIKey | WBGOVCCHVXTCRW-UHFFFAOYSA-N |
| SMILES | COC1=CC=C(C2=CC(C(F)(F)F)=C(C(S)=N2)C#N)C=C1 |
安全数据
| WGK Germany | WGK 3 |
| 存储类别 | 11 - Combustible Solids |
| 危险性类别 | Skin Sens. 1 |