基本信息
经验(实验)分子式 | C21H15F12NO |
分子量 | 525.33 |
MDL编号 | MFCD10566964 |
PubChem化学物质编号 | 329760395 |
NACRES | NA.22 |
产品性质
测定 | ≥99.0% (HPLC) ≥99.0% |
光学纯度 | ee: ≥99.0% (HPLC) |
mp | 113-117 ℃ |
储存温度 | 2-8℃ |
SMILES string | OC([C@@H]1CCCN1)(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c3cc(cc(c3)C(F)(F)F)C(F)(F)F |
InChI | 1S/C21H15F12NO/c22-18(23,24)12-4-10(5-13(8-12)19(25,26)27)17(35,16-2-1-3-34-16)11-6-14(20(28,29)30)9-15(7-11)21(31,32)33/h4-9,16,34-35H,1-3H2/t16-/m0/s1 |
InChI key | ITXPGQOGEYWAKW-INIZCTEOSA-N |
安全信息
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 | Eyeshields, Gloves, type N95 (US) |
Sigma-Aldrich