Cas no 84696-79-7 (9-Phosphabicyclo[4.2.1]nonane,9-(octahydro-1-pentalenyl)-)
![9-Phosphabicyclo[4.2.1]nonane,9-(octahydro-1-pentalenyl)- structure](https://ossimg.kuujia.com/scimg/85000/84696-79-7x500.png)
84696-79-7 structure
Product Name:9-Phosphabicyclo[4.2.1]nonane,9-(octahydro-1-pentalenyl)-
CAS No:84696-79-7
MF:C16H27P
MW:250.359345674515
CID:724397
PubChem ID:44145997
Update Time:2025-04-19
9-Phosphabicyclo[4.2.1]nonane,9-(octahydro-1-pentalenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 9-Phosphabicyclo[4.2.1]nonane,9-(octahydro-1-pentalenyl)-
- 9-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl)-9-phosphabicyclo[4.2.1]nonane
- 9-(octahydro-1-pentalenyl)-9-phosphabicyclo[4.2.1]nonane
- 84696-79-7
- EINECS 283-686-6
- NS00059895
- 9-(Octahydro-1-pentalenyl)-9-phosphabicyclo(4.2.1)nonane
- DTXSID301004989
- 9-(OCTAHYDROPENTALEN-1-YL)-9-PHOSPHABICYCLO[4.2.1]NONANE
-
- Inchi： 1S/C16H27P/c1-2-6-14-10-9-13(5-1)17(14)16-11-8-12-4-3-7-15(12)16/h12-16H,1-11H2
- InChI Key： WWUJFEONBGZZTI-UHFFFAOYSA-N
- SMILES： P1(C2CCCCC1CC2)C1CCC2CCCC12
Computed Properties
- Exact Mass: 250.185
- Monoisotopic Mass: 250.185
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 273
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 5
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 0A^2
- XLogP3: 4
Experimental Properties
- Boiling Point: 351.5°C at 760 mmHg
- Flash Point: 174.7°C
- PSA: 13.59000
- LogP: 5.15200
9-Phosphabicyclo[4.2.1]nonane,9-(octahydro-1-pentalenyl)- Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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