异烟酸甲酯 | 2459-09-8
中文名称:
异烟酸甲酯
英文名称:
Methyl isonicotinate
CAS No.:
2459-09-8
分子式:
C7 H7 NO2
分子量:
137.13598
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:异烟酸甲酯结构式
名称和标识符
MDL
MFCD00006427
InChIKey
OLXYLDUSSBULGU-UHFFFAOYSA-N
Inchi
InChI=1S/C7H7NO2/c1-10-7(9)6-2-4-8-5-3-6/h2-5H,1H3
SMILES
COC(=O)C1=CC=NC=C1
BRN
114618
别名信息
- 中文别名 -
异烟酸甲酯
吡啶-4-甲酸甲酯
4-吡啶甲酸甲酯
Methyl Isonicotinate 异烟酸甲酯
异烟酸甲酯\
吡啶-4-羧酸甲酯
异烟酸甲酯(4-吡啶甲酸甲酯)
- 英文别名 -
Methyl isonicotinate
Methyl 4-pyridinecarboxylate
Isonicotinic acid methyl ester
4-Picolinic acid methyl ester
Methyl-4-PyridineCarboxylate
4-carbomethoxypyridine
4-Methoxycarbonylpyridine
4-Pyridinecarboxylic acid,methyl ester
Methyl Pyridine-4-carboxylate
pyridine-4-carboxylic acid methyl ester
Isonicotinic Acid Methyl Ester
Pyridine-4-carboxylic Acid Methyl Ester
Pyridine-4-carboxylic acid methyl ester
4-Pyridinecarboxylic acid, methyl ester
AKOS000121257
Isonicotinic acid, methyl ester
F0001-0836
UNII-AH74GPR4IK
InChI=1/C7H7NO2/c1-10-7(9)6-2-4-8-5-3-6/h2-5H,1H
NSC-18257
EINECS 219-546-8
DTXSID9062433
AM84831
W-107298
CS-D1405
STR01059
FT-0627427
Propylbenzoate
FT-0628745
FT-0651801
SCHEMBL180574
PS-3636
4-Carbomethoxypyridine
NSC18257
EN300-15483
CHEMBL2251612
NS00015763
4-Picolinic acid methyl ester
A23906
Pyridine-4-carboxylic acid, methyl ester
Methyl isonicotinate, 98%
MFCD00006427
4-pyridinecarboxylic acid methyl ester
AH74GPR4IK
I0141
2459-09-8
AC-3093
Q63398365
NSC 18257
Methyl isonicotinate,99%
物化性质
实验特性
LogP
0.86820
PSA
39.19000
折射率
n20/D 1.512(lit.)
水溶性
Slightly soluble in water.
沸点
209°C(lit.)
熔点
8-8.5 °C (lit.)
闪点
华氏:179.6 °F 摄氏:82 °C
颜色与性状
Yellow to Brown Liquid
溶解性
稍微可溶解的
密度
1.161 g/mL at 25 °C(lit.)
计算特性
精确分子量
137.04800
氢键供体数量
0
氢键受体数量
3
可旋转化学键数量
2
同位素质量
137.047678
重原子数量
10
复杂度
119
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)
0.9
表面电荷
0
拓扑分子极性表面积
39.2
海关数据
海关编码
2933399090
海关数据
中国海关编码:
2933399090
概述:
2933399090. 其他结构含非稠合吡啶环的化合物. 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:20.0%
申报要素:
品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
Summary:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
相关文献
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参考资料
Reaxys RN
114618
Beilstein
22,46
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