14548-01-7 (菲啶，5-氧化物,Phenanthridine, 5-oxide)

快速询单

结构式：

菲啶，5-氧化物MOL文件

CAS号：

14548-01-7

中文名称：

菲啶，5-氧化物

英文名称：

Phenanthridine, 5-oxide

分子式：

C₁₃H₉NO

分子量：

195.216663122177

菲啶，5-氧化物(14548-01-7)名称与标识符

名称

英文别名：

Phenanthridine, 5-oxide;5-oxidophenanthridin-5-ium;3,4-benzoquinoline N-oxide;9-aza-phenanthrene N-oxide;AC1L1BRN;CTK0H7053;NSC263827;Phenanthridin-5-oxid;Phenanthridine N-oxide;Phenanthridin-N-oxid;SureCN4782479;PHENANTHRIDINE5-OXIDE;NSC-263827;14548-01-7;Phenanthridine, 5-oxide (8CI)(9CI);42DVV3F9BB;DTXSID90163052;Phenanthridine 5-oxide;SCHEMBL4782479;NSC 263827;

标识符

InChIKey：

BSGIEESBTVXEOH-UHFFFAOYSA-N

Inchi：

1S/C13H9NO/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H

SMILES：

[O-][N+]1C=C2C=CC=CC2=C2C=CC=CC=12

菲啶，5-氧化物(14548-01-7)物化性质

实验特性

LogP : 3.42150
PSA : 26.94
折射率 : 1.645
沸点 : 408.9°Cat760mmHg
闪点 : 201.1°C
密度 : 1.18

计算特性

精确分子量 : 195.06847
氢键供体数量 : 0
氢键受体数量 : 1
可旋转化学键数量 : 0
同位素质量 : 195.068414
重原子数量 : 15
复杂度 : 231
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） : 2.4
拓扑分子极性表面积 : 25.5

菲啶，5-氧化物(14548-01-7)相关文献

1. Addition reactions of heterocyclic compounds. Part XXVIII. The synthesis of phenanthridinium-5-vinyloxides and pyrrolo[1,2-f]phenanthridines
R. M. Acheson,A. S. Bailey,I. A. Selby J. Chem. Soc. C 1967 2066
2. Further studies on the photochemical reactions of 6-substituted phenanthridine 5-oxides
Edward C. Taylor,Gavin G. Spence Chem. Commun. (London) 1968 1037
3. Phenanthridine 5-oxides with acetylenic ester and the preparation of dibenzo[e,g]indolizine
R. M. Acheson,A. S. Bailey,I. A. Selby Chem. Commun. (London) 1966 835a
4. Group migration in the photolysis of 6-substituted phenanthridine 5-oxides
Edward C. Taylor,Gavin G. Spence Chem. Commun. (London) 1966 767b
5. Addition reactions of heterocyclic compounds. Part LIV. Rotational isomerism of 6-aralkyl-5-oxidovinylphenanthridiniums: an investigation by variable temperature nuclear magnetic resonance spectroscopy
R. Morrin Acheson,Ian A. Selby J. Chem. Soc. Perkin Trans. 1 1974 423
6. Medium and substituent effects on the photochemistry of phenanthridine N-oxides. Is an intermediate of diradical character involved in the photorearrangement of heterocyclic N-oxides?
Angelo Albini,Elisa Fasani,Valeria Frattini J. Chem. Soc. Perkin Trans. 2 1988 235
7. Synthesis of heteroaromatic trifluoromethyl ethers with trifluoromethyl triflate as the source of the trifluoromethoxy group
Qing-Wei Zhang,John F. Hartwig Chem. Commun. 2018 54 10124
8. Addition reactions of heterocyclic compounds. Part XLIII. Rotational isomerism of 5-oxidovinylphenanthridiniums: an investigation by variable temperature nuclear magnetic resonance spectroscopy
R. M. Acheson,I. A. Selby J. Chem. Soc. C 1971 691
9. Keten. Part V. The reaction of dimethylketen with heteroaromatic N-oxides
R. N. Pratt,G. A. Taylor J. Chem. Soc. C 1968 1653
10. Catalyst-free synthesis of quinoline-enols through coupling between heterocyclic N-oxides and CF3-ynones under mild conditions
Zhenbang Chang,Saisai Zhang,Yinpeng Wang,Heng-Ying Xiong,Guangwu Zhang Org. Chem. Front. 2022 9 6200