MDL | MFCD00002420 |
InChIKey | ZMZGFLUUZLELNE-UHFFFAOYSA-N |
Inchi | 1S/C7H3I3O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H,11,12) |
SMILES | O=C(C1C(I)=C(I)C=C(I)C=1)O |
BRN | 1955088 |
LogP | 3.19860 |
PSA | 37.30000 |
水溶性 | Insoluble in water. |
沸点 | 456.7 °C at 760 mmHg |
熔点 | 220-222 °C (lit.) |
闪点 | 230 °C |
溶解度 | methanol: soluble5%, hazy, orange to very deep orange (light) |
颜色与性状 | 浅黄色棱柱状结晶。 |
溶解性 | 溶于热乙醇和乙醚,微溶于沸苯,不溶于水。 |
敏感性 | Light Sensitive |
密度 | 2.7985 (estimate) |
精确分子量 | 499.72700 |
氢键供体数量 | 1 |
氢键受体数量 | 2 |
可旋转化学键数量 | 1 |
同位素质量 | 499.726708 |
重原子数量 | 12 |
复杂度 | 186 |
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 | 1 |
疏水参数计算参考值(XlogP) | 3.4 |
互变异构体数量 | 无 |
表面电荷 | 0 |
拓扑分子极性表面积 | 37.3 |
EINECS | 2582 |
海关编码 | 29163900 |
海关数据 |
中国海关编码:2916399015概述:2916399015 三碘苯甲酸。监管条件:S(进出口农药登记证明)。增值税率:17.0%。退税率:0.0%。最低关税:6.5%。普通关税:30.0% 申报要素:品名, 成分含量, 用途, 丙烯酸、丙烯酸盐或酯应报明包装 监管条件:S.进出口农药登记证明 Summary:2916399015 2,3,5-triiodobenzoic acid。supervision conditions:s(import or export registration certificate for pesticides)。VAT:17.0%。tax rebate rate:0.0%。MFN tarrif:6.5%。general tariff:30.0% |
用途 | 用作植物生长调节剂。 |
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PubChemId | 24900330 |
Reaxys RN | 1955088 |
Beilstein | 1955088 |