烟酸酸酐 | 16837-38-0
中文名称:
烟酸酸酐
英文名称:
Nicotinic anhydride
CAS No.:
16837-38-0
分子式:
C1 2 H8 N2 O3
分子量:
228.2035
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:烟酸酸酐结构式
名称和标识符
MDL
MFCD00055400
InChIKey
VPODXHOUBDCEHN-UHFFFAOYSA-N
Inchi
1S/C12H8N2O3/c15-11(9-3-1-5-13-7-9)17-12(16)10-4-2-6-14-8-10/h1-8H
SMILES
O(C(C1=C([H])N=C([H])C([H])=C1[H])=O)C(C1=C([H])N=C([H])C([H])=C1[H])=O
别名信息
- 中文别名 -
3-吡啶甲酸酐
3-Pyridinecarboxylic Anhydride 3-吡啶甲酸酐
3-吡啶酸酐
西司他丁
烟酸酐
- 英文别名 -
Nicotinic anhydride
3-Pyridinecarboxylic anhydride
3-Pyridinecarboxylicacid, 1,1'-anhydride
3-pyridinyl anhydride
pyridine-3-carbonyl pyridine-3-carboxylate
Ai3-15770
Einecs 240-860-6
Bisnicotinic anhydride
3-Pyridinecarboxylic acid, anhydride
Bis(pyridine-3-carboxylic acid)anhydride
3-PYRIDINECARBOXYLIC ANHYDRIDE , 97.0+%(GC)(T)
3-Pyridinecarboxylicanhydride
nicotinic acid anhydride
VPODXHOUBDCEHN-UHFFFAOYSA-N
NSC72756
RL02157
Nicotinic Anhydride
nicotinic anhydride
3-Pyridinecarboxylic Anhydride
Nicotinicanhydride
Nicotinicanhydride
DTXSID60168554
DTXSID60168554
EINECS 240-860-6
EINECS 240-860-6
JT8TR8DQP4
JT8TR8DQP4
J-010452
J-010452
16837-38-0
16837-38-0
NS00025522
AKOS015854238
NS00025522
AC-5233
AKOS015854238
Pyridine-3-carboxylic anhydride
AC-5233
3-Pyridinecarboxylic acid, 1,1'-anhydride
Pyridine-3-carboxylic anhydride
MFCD00055400
3-Pyridinecarboxylic acid, 1,1'-anhydride
SCHEMBL2491556
MFCD00055400
P1768
SCHEMBL2491556
CS-W010408
P1768
AS-31260
CS-W010408
NSC 72756
A810965
AS-31260
AI3-15770
NSC-72756
NSC 72756
FT-0659065
A810965
J-513093
AI3-15770
3-Pyridinecarboxylicacid,1,1'-anhydride
NSC-72756
FT-0659065
J-513093
3-Pyridinecarboxylicacid,1,1'-anhydride
物化性质
实验特性
LogP
1.47380
PSA
69.15000
沸点
200°C/1mmHg(lit.)
熔点
122.0 to 127.0 deg-C
闪点
203.1±21.8 °C
颜色与性状
白色-淡黄色晶体粉末
溶解性
溶于丙酮
计算特性
精确分子量
228.05300
氢键供体数量
0
氢键受体数量
5
可旋转化学键数量
4
同位素质量
228.05349212g/mol
重原子数量
17
复杂度
266
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
无
表面电荷
0
拓扑分子极性表面积
69.2
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
1.
The decarboxylative acylation of succinic acid derivatives. Part I. Benzamidosuccinic acid
Alexander Lawson J. Chem. Soc. 1954 3363
2.
Synthesis, characterization and derivatization of hydroxyl-functionalized iron(ii) bis(NHC) complexes
Anja C. Lindhorst,Manuel Kaspar,Philipp J. Altmann,Alexander P?thig,Fritz E. Kühn Dalton Trans. 2018 47 1857
3.
Niacin-ligated platinum(iv)–ruthenium(ii) chimeric complexes synergistically suppress tumor metastasis and growth with potentially reduced toxicity in vivo
Liwei Shu,Lulu Ren,Yuchen Wang,Tao Fang,Zhijian Ye,Weidong Han,Chao Chen,Hangxiang Wang Chem. Commun. 2020 56 3069
4.
Magnetic nanomaterials in catalysis: advanced catalysts for magnetic separation and beyond
Liane M. Rossi,Natalia J. S. Costa,Fernanda P. Silva,Robert Wojcieszak Green Chem. 2014 16 2906
5.
565. Decarboxylative acylations with α-phenylglycine
Alexander Lawson J. Chem. Soc. 1956 2910
6.
Organic chemistry
J. Chem. Soc. Abstr. 1925 128 i769
7.
Amide-appended porphyrins as scaffolds for catenanes, rotaxanes and anion receptors
Maxwell J. Gunter,Sandra M. Farquhar,Kathleen M. Mullen New J. Chem. 2004 28 1443
8.
Index of subjects
J. Chem. Soc. Abstr. 1924 126 ii1051
9.
4-Dialkylaminopyridines: super acylation and alkylation catalysts
Eric F. V. Scriven Chem. Soc. Rev. 1983 12 129
参考资料
Reaxys RN
181570
Beilstein
22(5)2,80
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