| 英文别名 | 1346599-68-5;Tioclomarol-d4 |
| CAS号 | 1346599-68-5 |
| SMILES | [2H]c1c(c(c(c(c1C(CC(c2ccc(s2)Cl)c3c(c4ccccc4oc3=O)O)O)[2H])[2H])Cl)[2H] |
| Inchi | InChI=1S/C22H16Cl2O4S/c23-13-7-5-12(6-8-13)16(25)11-15(18-9-10-19(24)29-18)20-21(26)14-3-1-2-4-17(14)28-22(20)27/h1-10,15-16,25-26H,11H2/i5D,6D,7D,8D |
| InchiKey | WRGOVNKNTPWHLZ-KDWZCNHSSA-N |
| 分子式 Formula | C22H12D4Cl2O4S |
| 分子量 Molecular Weight | 451.356 |
| 闪点 FP | 353.0±31.5 ℃ |
| 沸点 Boiling point | 660.0±55.0 ℃ at 760 mmHg |
| Polarizability极化度 | 45.2±0.5 10-24cm3 |
| 密度 Density | 1.5±0.1 g/cm3 |
| 蒸汽压 Vapor Pressure | 0.0±2.1 mmHg at 25℃ |
| 储藏条件 Storage conditions | storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years) |
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