3164-73-6

• 常用中文名：1-硝甲基环己醇
• 常用英文名：Cyclohexanol,1-(nitromethyl)-
• CAS号：3164-73-6
• 分子式：C₇H₁₃NO₃
• 分子量：159.18300
• 发布时间：2018-04-06 08:00:00
• 更新时间：2024-01-11 10:51:07

名称

• 中文名: 1-硝甲基环己醇
• 英文名: 1-(nitromethyl)cyclohexan-1-ol
• 中文别名: 1-硝基甲基-1-环己醇; 1-硝基甲基环己醇
• 英文别名: 1-Hydroxy-1-nitromethyl-cyclohexan; 1-Nitromethyl-1-cyclohexanol; 1-Nitromethyl-cyclohexanol

物化性质

• 密度: 1.172g/cm3
• 沸点: 286.2ºC at 760 mmHg
• 分子式: C₇H₁₃NO₃
• 分子量: 159.18300
• 闪点: 127.1ºC
• 精确质量: 159.09000
• PSA: 66.05000
• LogP: 1.48150
• 折射率: 1.499
• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.5

  2.氢键供体数量:1

  3.氢键受体数量:3

  4.可旋转化学键数量:1

  5.互变异构体数量:2

  6.拓扑分子极性表面积:66

  7.重原子数量:11

  8.表面电荷:0

  9.复杂度:146

  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

安全

• 海关编码: 2906199090

合成路线

75-52-5 108-94-1 ~97% 3164-73-6

文献：Kisanga, Philip B.; Verkade, John G. Journal of Organic Chemistry, 1999 , vol. 64, # 12 p. 4298 - 4303

563-70-2 108-94-1 ~69% 3164-73-6

文献：Concellon, Jose M.; Rodriguez-Solla, Humberto; Concellon, Carmen Journal of Organic Chemistry, 2006 , vol. 71, # 20 p. 7919 - 7922

75-52-5 108-94-1 ~8% 229486-45-7 3164-73-6

文献：Kisanga, Philip B.; Verkade, John G. Journal of Organic Chemistry, 1999 , vol. 64, # 12 p. 4298 - 4303

75-52-5 64-17-5 141-52-6 108-94-1 ~% 详细

文献：Fraser; Kon Journal of the Chemical Society, 1934 , p. 604,607 Full Text Show Details Dauben et al. Journal of the American Chemical Society, 1951 , vol. 73, p. 2359 Organic Syntheses, 1963 , vol. Coll. Vol. IV, p. 221 Full Text View citing articles Show Details Nightingale et al. Journal of Organic Chemistry, 1950 , vol. 15, p. 782 Full Text View citing articles Show Details Dauben et al. Org. Synth. Coll. Vol., 1963 , vol. IV, p. 221 Full Text Show Details Grob; v.Tscharner Helvetica Chimica Acta, 1950 , vol. 33, p. 1070,1076

75-52-5 108-94-1 ~% 5330-61-0 3164-73-6

文献：Fraser; Kon Journal of the Chemical Society, 1934 , p. 604,607

110-89-4 75-52-5 108-94-1 ~% 229486-45-7 详细

文献：Fraser; Kon Journal of the Chemical Society, 1934 , p. 604,607 Full Text Show Details Nightingale et al. Journal of Organic Chemistry, 1958 , vol. 23, p. 236,241 Full Text Show Details Noland; Sundberg Journal of Organic Chemistry, 1963 , vol. 28, p. 3150,3162 Full Text Show Details Lambert; Lowe Journal of the Chemical Society, 1947 , p. 1518 Full Text Show Details Nightingale et al. Journal of Organic Chemistry, 1952 , vol. 17, p. 1005,1007 Full Text Show Details House; Magin Journal of Organic Chemistry, 1963 , vol. 28, p. 647,649

75-52-5 108-94-1 109-89-7 ~% 229486-45-7 详细

文献：Fraser; Kon Journal of the Chemical Society, 1934 , p. 604,607 Full Text Show Details Nightingale et al. Journal of Organic Chemistry, 1958 , vol. 23, p. 236,241 Full Text Show Details Noland; Sundberg Journal of Organic Chemistry, 1963 , vol. 28, p. 3150,3162 Full Text Show Details Lambert; Lowe Journal of the Chemical Society, 1947 , p. 1518 Full Text Show Details Nightingale et al. Journal of Organic Chemistry, 1952 , vol. 17, p. 1005,1007 Full Text Show Details House; Magin Journal of Organic Chemistry, 1963 , vol. 28, p. 647,649

75-52-5 141-52-6 108-94-1 ~% 3164-73-6

文献：Fraser; Kon Journal of the Chemical Society, 1934 , p. 608

110-89-4 75-52-5 64-17-5 110-83-8 ~% 详细

文献：Fraser; Kon Journal of the Chemical Society, 1934 , p. 608

海关

海关编码	2906199090
中文概述	2906199090. 其他环烷醇，环烯醇及环萜烯醇. 增值税率:17.0%. 退税率:13.0%. 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	2906199090. cyclanic, cyclenic or cyclotherpenic alcohols. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%