2-硝基-2-氯丙烷结构式
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常用名 | 2-硝基-2-氯丙烷 | 英文名 | Propane,2-chloro-2-nitro |
|---|---|---|---|---|
| CAS号 | 594-71-8 | 分子量 | 123.53800 | |
| 密度 | 1.208g/cm3 | 沸点 | 138.3ºC at 760mmHg | |
| 分子式 | C3H6ClNO2 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 37.4ºC |
| 中文名 | 2-硝基-2-氯丙烷 |
|---|---|
| 英文名 | 2-chloro-2-nitropropane |
| 中文别名 | 2-氯-2-硝基丙烷 |
| 英文别名 | 更多 |
| 密度 | 1.208g/cm3 |
|---|---|
| 沸点 | 138.3ºC at 760mmHg |
| 分子式 | C3H6ClNO2 |
| 分子量 | 123.53800 |
| 闪点 | 37.4ºC |
| 精确质量 | 123.00900 |
| PSA | 45.82000 |
| LogP | 1.76120 |
| InChIKey | JQYFSFNSNVRUPY-UHFFFAOYSA-N |
| SMILES | CC(C)(Cl)[N+](=O)[O-] |
| 外观性状 | 无色至略黄色液体 |
| 折射率 | 1.436 |
| 储存条件 | 库房通风低温干燥,与氧化剂、酸类、食品添加剂分开存放 |
| 稳定性 | Stable, but unstable if heated rapidly. Combustible. Incompatible with strong oxidizing agents, powdered aluminium, potassium. |
| 计算化学 | 1.疏水参数计算参考值(XlogP):1.3 2.氢键供体数量:0 3.氢键受体数量:2 4.可旋转化学键数量:0 5.互变异构体数量:无 6.拓扑分子极性表面积:45.8 7.重原子数量:7 8.表面电荷:0 9.复杂度:85.4 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 |
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~30%
2-硝基-2-氯丙烷 594-71-8 |
| 文献:Moiseev, I. K.; Mratkhuzina, T. A.; Makarova, N. V. Russian Journal of General Chemistry, 1999 , vol. 69, # 11 p. 1777 - 1778 Zhurnal Obshchei Khimii, 1999 , vol. 69, # 11 p. 1855 - 1857 |
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~74%
2-硝基-2-氯丙烷 594-71-8 |
| 文献:Makosza, M.; Kwast, A.; Kwast, E.; Jonczyk, A. Journal of Organic Chemistry, 1985 , vol. 50, # 20 p. 3722 - 3727 |
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~%
2-硝基-2-氯丙烷 594-71-8 |
| 文献:Kornblum,N. et al. Journal of the American Chemical Society, 1973 , vol. 95, p. 3356 - 3361 |
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~43%
2-硝基-2-氯丙烷 594-71-8 |
| 文献:Ilovaisky; Merkulova; Ogibin; Nikishin Russian Chemical Bulletin, 2005 , vol. 54, # 7 p. 1585 - 1592 |
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~%
2-硝基-2-氯丙烷 594-71-8 |
| 文献:Comm.Solv.Corp. Patent: US2365981 , 1941 ; Full Text Show Details Seigle; Hass Journal of Organic Chemistry, 1940 , vol. 5, p. 103 |
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~%
2-硝基-2-氯丙烷 594-71-8 |
| 文献:Aliew; Degtjarenko Neft GazChem.Abstr., 1958 , vol. 1, # 5 p. 109,112 Neft GazChem.Abstr., 1959 , p. 10006 |
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~%
2-硝基-2-氯丙烷 594-71-8
详细
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| 文献:Russell, Glen A.; Ros, Fransisco Journal of the American Chemical Society, 1985 , vol. 107, # 8 p. 2506 - 2511 |
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~%
2-硝基-2-氯丙烷 594-71-8 |
| 文献:Aliew; Degtjarenko Neft GazChem.Abstr., 1958 , vol. 1, # 5 p. 109,111 Neft GazChem.Abstr., 1959 , p. 10006 |
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| 2-chloro-2-nitro-propane |
| Propane,2-chloro-2-nitro |
| 2-Nitro-2-chlor-propan |
| 1-Chlor-1-nitropropan |
| EINECS 209-853-5 |
| 2-Chlor-2-nitro-propan |