基本信息
| 经验(实验)分子式 | C76H52O46 |
| 分子量 | 1701.20 |
| Beilstein | 8186396 |
| EC 号 | 215-753-2 |
| MDL编号 | MFCD00066397 |
| PubChem化学物质编号 | 329751144 |
| NACRES | NA.21 |
产品性质
| 质量水平 | 200 |
| 等级 | puriss. |
| 形式 | powder |
| 自燃温度 | 980 °F |
| 质量 | meets analytical specification of USP |
| 杂质 | dextrines, gum matters, in accordance resinous matters, in accordance ≤0.003% heavy metals (as Pb) |
| 灼烧残渣 | ≤0.1% (as SO4) |
| 缺失 | ≤9% loss on drying, 105 ℃, 2 h |
| mp | 218 ℃ (lit.) |
| 溶解性 | H2O: soluble 1 gm in 0.35ml glycerol: soluble 1gm in 1 ml (warm) acetone: very soluble alcohol: freely soluble (Diluted) alcohol: slightly soluble (Dehydrated) alcohol: very soluble benzene: insoluble carbon disulfide: insoluble carbon tetrachloride: insoluble chloroform: insoluble diethyl ether: insoluble hexane: insoluble petroleum ether: insoluble |
| 痕量阳离子 | As: ≤3 mg/kg |
| SMILES string | Oc1cc(cc(O)c1O)C(=O)Oc2cc(cc(O)c2O)C(=O)OC[C@H]3O[C@@H](OC(=O)c4cc(O)c(O)c(OC(=O)c5cc(O)c(O)c(O)c5)c4)[C@H](OC(=O)c6cc(O)c(O)c(OC(=O)c7cc(O)c(O)c(O)c7)c6)[C@@H](OC(=O)c8cc(O)c(O)c(OC(=O)c9cc(O)c(O)c(O)c9)c8)[C@@H]3OC(=O)c%10cc(O)c(O)c(OC(=O)c%11cc(O)c(O)c(O)c%11)c%10 |
| InChI | 1S/C76H52O46/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26/h1-20,52,63-65,76-101H,21H2/t52-,63-,64+,65-,76+/m1/s1 |
| InChI key | LRBQNJMCXXYXIU-PPKXGCFTSA-N |
安全信息
| 储存分类代码 | 11 - Combustible Solids |
| WGK | WGK 2 |
| 闪点(F) | 390.2 °F |
| 闪点(C) | 199 ℃ |
Sigma-Aldrich
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