对甲氧基乙酰苯胺 | 51-66-1
中文名称:
对甲氧基乙酰苯胺
英文名称:
N-(4-Methoxyphenyl)acetamide
CAS No.:
51-66-1
分子式:
C9 H1 1 NO2
分子量:
165.1891
名称和标识符
MDL
MFCD00014963
InChIKey
XVAIDCNLVLTVFM-UHFFFAOYSA-N
Inchi
1S/C9H11NO2/c1-7(11)10-8-3-5-9(12-2)6-4-8/h3-6H,1-2H3,(H,10,11)
SMILES
O(C([H])([H])[H])C1C([H])=C([H])C(=C([H])C=1[H])N([H])C(C([H])([H])[H])=O
BRN
0387887
物化性质
实验特性
LogP
1.72660
PSA
38.33000
Merck
14,51
折射率
1.557
水溶性
0.42 g/100 mL (20 oC)
沸点
345.5°C at 760 mmHg
熔点
128-130?°C(lit.)
蒸气压
6.13E-05mmHg at 25°C
闪点
162.8°C
颜色与性状
淡紫色粉末
溶解性
溶于热水、苯、乙醇和氯仿
密度
1.127 g/cm3
计算特性
精确分子量
165.07900
氢键供体数量
1
氢键受体数量
2
可旋转化学键数量
2
同位素质量
165.079
重原子数量
12
复杂度
151
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)
1.1
互变异构体数量
3
表面电荷
0
拓扑分子极性表面积
38.3
海关数据
海关编码
2924299090
海关数据
中国海关编码:
2924299090
概述:
2924299090. 其他环酰胺(包括环氨基甲酸酯)(包括其衍生物以及他们的盐). 增值税率:17.0%. 退税率:13.0%. 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, 包装
Summary:
2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
生产方法和用途
方法
由对甲氧基苯胺经乙酰化而得。方法1:对甲氧基苯胺和乙酸反应,将反应物中过量乙酸和反应生成的水一起蒸出,反应产物用减压蒸馏的方法提纯。原料消耗定额:对甲氧基苯胺778kg/t。方法2:用乙酐乙酰化,将对甲氧基苯胺加入1000ml三口瓶中,在50℃加入乙酐,在70℃反应10min,冷却、过滤、水洗、干燥即得。收率95%左右。
用途
用于制造分散染料
用于制造分散藏青2GL、枣红GP色基,也是染料分散深蓝HGL及医药的中间体。
用于制造分散藏青2GL、枣红GP色基,也是燃料分散深蓝HGL及医药中间体。
生产方法
由对甲氧基苯胺经乙酰化而得。方法1:对甲氧基苯胺和乙酸反应,将反应物中过量乙酸和反应生成的水一起蒸出,反应产物用减压蒸馏的方法提纯。原料消耗定额:对甲氧基苯胺778kg/t。方法2:用乙酐乙酰化,将对甲氧基苯胺加入1000ml三口瓶中,在50℃加入乙酐,在70℃反应10min,冷却、过滤、水洗、干燥即得。收率95%左右。
相关文献
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参考资料
Reaxys RN
387887
Beilstein
P160200
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