Heptanedinitrile,4-acetyl-4-(2-cyanoethyl)-
Heptanedinitrile,4-acetyl-4-(2-cyanoethyl)-结构式
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常用名 | Heptanedinitrile,4-acetyl-4-(2-cyanoethyl)- | 英文名 | Heptanedinitrile,4-acetyl-4-(2-cyanoethyl)- |
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| CAS号 | 126-50-1 | 分子量 | 217.26700 | |
| 密度 | 1.065g/cm3 | 沸点 | 500.7ºC at 760mmHg | |
| 分子式 | C12H15N3O | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 256.6ºC |
| 英文名 | 4-acetyl-4-(2-cyanoethyl)heptanedinitrile |
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| 英文别名 | 更多 |
| 密度 | 1.065g/cm3 |
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| 沸点 | 500.7ºC at 760mmHg |
| 分子式 | C12H15N3O |
| 分子量 | 217.26700 |
| 闪点 | 256.6ºC |
| 精确质量 | 217.12200 |
| PSA | 88.44000 |
| LogP | 2.47314 |
| 蒸汽压 | 3.7E-10mmHg at 25°C |
| 折射率 | 1.474 |
| 分子结构 | 1、 摩尔折射率：57.37 2、 摩尔体积（cm3/mol）：203.9 3、 等张比容（90.2K）：534.6 4、 表面张力（dyne/cm）：47.2 5、 极化率（10-24cm3）：22.74 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:-0.1 2.氢键供体数量:0 3.氢键受体数量:4 4.可旋转化学键数量:7 5.互变异构体数量:2 6.拓扑分子极性表面积88.4 7.重原子数量:16 8.表面电荷:0 9.复杂度:334 10.同位素原子数量:0 11.确定原子立构中心数量:0 12.不确定原子立构中心数量:0 13.确定化学键立构中心数量:0 14.不确定化学键立构中心数量:0 15.共价键单元数量:1 |
| 海关编码 | 2926909090 |
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Heptanedinitril... 126-50-1 |
| 文献：Bayer Angewandte Chemie, 1949 , vol. 61, p. 234 Anm.131 Full Text Show Details Resinous Prod.and Chem.Co. Patent: US2386736 , 1941 ; Full Text Show Details Resinous Prod.and Chem.Co. Patent: US2329433 , 1941 ; Full Text Show Details Bruson; Riener Journal of the American Chemical Society, 1942 , vol. 64, p. 2857 Journal of the American Chemical Society, 1943 , vol. 65, p. 21 Full Text Show Details Resinous Prod. and Chem. Co. Patent: US2386736 , 1941 ; Full Text Show Details Resinous Prod. and Chem. Co. Patent: US2329433 , 1941 ; |
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Heptanedinitril... 126-50-1 |
| 文献：Resinous Prod. and Chem. Co. Patent: US2329433 , 1941 ; Full Text Show Details Resinous Prod. and Chem. Co. Patent: US2311183 , 1942 ; Full Text Show Details Resinous Prod. and Chem. Co Patent: US2386736 , 1941 ; Full Text Show Details Resinous Prod. and Chem. Co Patent: US2394962 , 1943 ; |
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~%
Heptanedinitril... 126-50-1 |
| 文献：Bayer Angewandte Chemie, 1949 , vol. 61, p. 234 Anm.131 Full Text Show Details Resinous Prod.and Chem.Co. Patent: US2386736 , 1941 ; Full Text Show Details Resinous Prod.and Chem.Co. Patent: US2329433 , 1941 ; Full Text Show Details Bruson; Riener Journal of the American Chemical Society, 1942 , vol. 64, p. 2857 Journal of the American Chemical Society, 1943 , vol. 65, p. 21 Full Text Show Details Resinous Prod. and Chem. Co. Patent: US2386736 , 1941 ; Full Text Show Details Resinous Prod. and Chem. Co. Patent: US2329433 , 1941 ; |
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Heptanedinitril... 126-50-1 |
| 文献：Du Pont de Nemours and Co. Patent: US2579580 , 1950 ; |
CAS号1607-75-6
CAS号5617-46-9| 海关编码 | 2926909090 |
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| 中文概述 | 2926909090 其他腈基化合物. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0% |
| 申报要素 | 品名, 成分含量, 用途 |
| Summary | HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
| 1,1,1-Tris-cyanoethylacetone |
| USAF B-122 |
| EINECS 204-787-3 |
