MDL | MFCD00017589 |
InChIKey | YPVZJXMTXCOTJN-UHFFFAOYSA-N |
Inchi | 1S/C15H10O5.ClH/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15;/h1-7H,(H3-,16,17,18,19);1H |
SMILES | [Cl-].[O+]1=C(C(=C([H])C2=C(C([H])=C(C([H])=C12)O[H])O[H])O[H])C1C([H])=C([H])C(=C([H])C=1[H])O[H] |
LogP | 0.20730 |
PSA | 94.06000 |
Merck | 13,7142 |
折射率 | 1.4429 (estimate) |
沸点 | 421.26°C (rough estimate) |
熔点 | >350 ºC |
颜色与性状 | Powder |
溶解性 | 未确定 |
密度 | 1.3164 (rough estimate) |
精确分子量 | 306.03000 |
氢键供体数量 | 4 |
氢键受体数量 | 5 |
可旋转化学键数量 | 1 |
同位素质量 | 306.0295011 g/mol |
重原子数量 | 21 |
复杂度 | 328 |
同位素原子数量 | 0 |
确定原子立构中心数量 | 0 |
不确定原子立构中心数量 | 0 |
确定化学键立构中心数量 | 0 |
不确定化学键立构中心数量 | 0 |
共价键单元数量 | 2 |
疏水参数计算参考值(XlogP) | 无 |
互变异构体数量 | 152 |
表面电荷 | 0 |
拓扑分子极性表面积 | 81.9 |
分子量 | 306.70 |
WGK Germany | 3 |
安全术语 | S22-S24/25 |
安全说明 | S22-S24/25 |
危险品运输编号 | NONH for all modes of transport |
储存条件 | 2-8°C |
FLUKA BRAND F CODES | 8-10-23 |
EINECS | 205-127-7 |
海关编码 | 2906299090 |
海关数据 |
中国海关编码:2906299090概述:2906299090 其他芳香醇. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0% 申报要素:品名, 成分含量, 用途 Summary:2906299090 other aromatic alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0% |
1.
CCXXI.—Experiments on the synthesis of anthocyanins. Part III
Alexander Robertson,Robert Robinson J. Chem. Soc. 1927 1710
2.
Synthesis, and spectroscopic, thermal and dielectric properties of phosphazene based ionic liquids: OFET application and tribological behavior
Hüseyin Akba?,Ahmet Karada?,Ali Destegül,?i?dem ?ak?rlar,Yusuf Yerli,Kadir Cihan Tekin,U?ur Malayo?lu,Zeynel K?l?? New J. Chem. 2019 43 2098
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Effects of anthocyans on the expression of organic anion transporting polypeptides (SLCOs/OATPs) in primary human hepatocytes
Juliane Riha,Stefan Brenner,Alzbeta Srovnalova,Lukas Klameth,Zdenek Dvorak,Walter J?ger,Theresia Thalhammer Food Funct. 2015 6 772
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The effect of anthocyans on the expression of selected phase II xenobiotic-metabolizing enzymes in primary cultures of human hepatocytes
Zdenek Dvorak,Alzbeta Srovnalova,Michaela Svecarova,Radim Vrzal Food Funct. 2014 5 2145
5.
Nature and consequences of non-covalent interactions between flavonoids and macronutrients in foods
Nicolas Bordenave,Bruce R. Hamaker,Mario G. Ferruzzi Food Funct. 2014 5 18
6.
CCCLXXIII.—Experiments on the synthesis of anthocyanins. Part VII. The four isomeric β-glucosides of pelargonidin chloride
Andrés Léon,Alexander Robertson,Robert Robinson,Tiruvenkata R. Seshadri J. Chem. Soc. 1931 2672
7.
CCI.—A synthesis of pyrylium salts of anthocyanidin type. Part XVI. The synthesis of pelargonidin chloride by means of O-benzoylphloroglucinaldehyde
Alexander Robertson,Robert Robinson,Jiro Sugiura J. Chem. Soc. 1928 1533
8.
XXV.—A synthesis of pyrylium salts of anthocyanidin type. Part III. A new synthesis of pelargonidin chloride
David Doig Pratt,Robert Robinson J. Chem. Soc. Trans. 1924 125 188
9.
CLXIII.—A synthesis of pyrylium salts of anthocyanidin type. Part VII. The preparation of the anthocyanidins with the aid of 2 : 4 : 6-triacetoxybenzaldehyde
David Doig Pratt,Robert Robinson J. Chem. Soc. Trans. 1925 127 1182
10.
CLXIV.—A synthesis of pyrylium salts of anthocyanidin type. Part VIII. A new synthesis of pelargonidin chloride and of galanginidin chloride
Thomas Malkin,Robert Robinson J. Chem. Soc. Trans. 1925 127 1190
Beilstein | 3922945 |