Cas no 59346-69-9 (Pentacyclo[4.2.0.02,5.03,8.04,7]octane,bromo-)
![Pentacyclo[4.2.0.02,5.03,8.04,7]octane,bromo- structure](https://ossimg.kuujia.com/scimg/59500/59346-69-9x500.png)
59346-69-9 structure
Product Name:Pentacyclo[4.2.0.02,5.03,8.04,7]octane,bromo-
Pentacyclo[4.2.0.02,5.03,8.04,7]octane,bromo- Chemical and Physical Properties
Names and Identifiers
-
- Pentacyclo[4.2.0.02,5.03,8.04,7]octane,bromo-
- 1-Bromocubane
- Bromocubane
- pentacyclo[4.2.0.0~2,5~.0~3,8~.0~4,7~]octane, 1-bromo-
- 59346-69-9
- InChI=1/C8H7Br/c9-8-5-2-1-3(5)7(8)4(1)6(2)8/h1-7
- DTXSID50208094
-
- Inchi： 1S/C8H7Br/c9-8-5-2-1-3(5)7(8)4(1)6(2)8/h1-7H
- InChI Key： GCQYIRWYCIIVNE-UHFFFAOYSA-N
- SMILES： BrC12C3C4C5C3C1C5C24
Computed Properties
- Exact Mass: 181.97311
- Monoisotopic Mass: 181.973113
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 201
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 0
- XLogP3: 1.5
Experimental Properties
- Density: 2.436
- Boiling Point: 204.1°Cat760mmHg
- Flash Point: 59.1°C
- Refractive Index: 1.969
- PSA: 0
Pentacyclo[4.2.0.02,5.03,8.04,7]octane,bromo- Related Literature
-
Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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