246-02-6 (奔驰蓝,Benz[a]azulene)

快速询单

结构式：

奔驰蓝MOL文件

CAS号：

246-02-6

中文名称：

奔驰蓝

英文名称：

Benz[a]azulene

分子式：

C₁₄H₁₀

分子量：

178.229203701019

奔驰蓝(246-02-6)名称与标识符

名称

英文别名：

Benz[a]azulene;benzo[a]azulene;Benz(a)azulene;AKOS015905480;Benzo[a]azulene #;BMZTYILRNHCUBV-UHFFFAOYSA-N;cyclohepta[a]indene;246-02-6;Benz[a]azulen;DTXSID90345033;

标识符

InChIKey：

BMZTYILRNHCUBV-UHFFFAOYSA-N

Inchi：

1S/C14H10/c1-2-6-11-10-12-7-4-5-9-14(12)13(11)8-3-1/h1-10H

SMILES：

C12C=CC=CC1=CC1=CC=CC=CC=21

奔驰蓝(246-02-6)物化性质

实验特性

PSA : 0
折射率 : 1.714
沸点 : 336.7°C at 760 mmHg
闪点 : 146.2°C
密度 : 1.13

计算特性

精确分子量 : 178.0783
氢键供体数量 : 0
氢键受体数量 : 0
可旋转化学键数量 : 0
同位素质量 : 178.078250319g/mol
重原子数量 : 14
复杂度 : 196
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） : 4.2
拓扑分子极性表面积 : 0Å²

奔驰蓝(246-02-6)相关文献

1. A versatile and efficient method for the synthesis of benz[a]azulenic enones starting from readily available o-(2-furyl)cycloheptatrienylbenzenes?1
Misako Sasabe,Yuuko Houda,Hideki Takagi,Takashi Sugane,Xu Bo,Kimiaki Yamamura J. Chem. Soc. Perkin Trans. 1 2000 3786
2. Magnetic circular dichroism and anomalous fluorescence spectra of azulenothiophenes
Hiroyuki Yamaguchi,Hirami Shimoishi,Masafumi Ata,Harold Baumann,Chiara Morini,Kameji Yamane J. Chem. Soc. Faraday Trans. 2 1983 79 1155
3. Rhodium(II)-catalysed cyclisation of diazoketones derived from biphenyl; a new route to benz[a]azulenes and related systems
Helmut Duddeck,Michael Kennedy,M. Anthony McKervey,Fiona M. Twohig J. Chem. Soc. Chem. Commun. 1988 1586
4. Photoelectron spectra of azulenopyridines
Hiroyuki Yamaguchi,Miwako Higashi,Kunihide Fujimori,Tsunetoshi Kobayashi J. Chem. Soc. Faraday Trans. 2 1989 85 157
5. Photoelectron spectra of benzazulenes
Miwako Higashi,Hiroyuki Yamaguchi,Werner Schmidt J. Chem. Soc. Faraday Trans. 2 1987 83 741
6. Photoelectron spectra of benzazulenes
Miwako Higashi,Hiroyuki Yamaguchi,Werner Schmidt J. Chem. Soc. Faraday Trans. 2 1987 83 741
7. The thermal rearrangements of azulenes to naphthalenes
Roger W. Alder,Graham Whittaker J. Chem. Soc. Perkin Trans. 2 1975 714
8. Construction of a 2,2′-biazulene framework via Br?nsted acid-promoted annulation of 2,3-di(1-azulenyl)benzofurans
Taku Shoji,Naoko Sakata,Yukino Ariga,Akari Yamazaki,Ryuzi Katoh,Tetsuo Okujima,Ryuta Sekiguchi,Shunji Ito Chem. Commun. 2023 59 3447
9. An efficient novel synthesis of β-(azuleno[1,2-b]benzothienyl)- and β-(azuleno[2,1-b]benzothienyl)-α,β-unsaturated ketones by the tropylium ion-mediated intramolecular furan ring-opening reaction and X-ray investigation of methyl ketone derivative1
Kimiaki Yamamura,Yuuko Houda,Masao Hashimoto,Takatomo Kimura,Makoto Kamezawa,Takehiko Otani Org. Biomol. Chem. 2004 2 1413
10. Organocatalytic [10+4] cycloadditions for the synthesis of functionalised benzo[a]azulenes
Maxime Giardinetti,Nicolaj Inunnguaq Jessen,Mette Louise Christensen,Karl Anker J?rgensen Chem. Commun. 2019 55 202