861107-97-3
英文名称
2-CHLORO-4',6'-DIMETHOXY-2'-HYDROXYCHALCONE
CAS
861107-97-3
分子式
C17H15ClO4
分子量
318.75
MOL 文件
861107-97-3.mol
结构式
基本信息
英文别名
2-CHLORO-4',6'-DIMETHOXY-2'-HYDROXYCHALCONE
3-(2-CHLOROPHENYL)-1-(2-HYDROXY-4,6-DIMETHOXYPHENYL)-2-PROPEN-1-ONE
2-Propen-1-one, 3-(2-chlorophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)-, (2E)-
3-(2-CHLOROPHENYL)-1-(2-HYDROXY-4,6-DIMETHOXYPHENYL)-2-PROPEN-1-ONE
2-Propen-1-one, 3-(2-chlorophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)-, (2E)-
物理化学性质
| 熔点 | 135-137 °C(Solvent: Ethanol) |
| 沸点 | 526.237±50.00 °C(Press: 760.00 Torr)(predicted) |
| 密度 | 1.284±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted) |
| 酸度系数(pKa) | 6.803±0.40(predicted) |
| 形态 | solid |
| InChI | 1S/C17H15ClO4/c1-21-12-9-15(20)17(16(10-12)22-2)14(19)8-7-11-5-3-4-6-13(11)18/h3-10,20H,1-2H3/b8-7+ |
| InChIKey | YZXFAXZRQRCABV-BQYQJAHWSA-N |
| SMILES | COc1cc(O)c(C(=O)\C=C\c2ccccc2Cl)c(OC)c1 |
安全数据
| WGK Germany | WGK 3 |
| 存储类别 | 11 - Combustible Solids |