Cas no 647-41-6 (Octane, 1,8-dibromo-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-)
647-41-6 structure
Product Name:Octane, 1,8-dibromo-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-
CAS No:647-41-6
MF:C8H4Br2F12
MW:487.906203269959
CID:417484
PubChem ID:71378880
Update Time:2025-04-19
Octane, 1,8-dibromo-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro- Chemical and Physical Properties
Names and Identifiers
-
- Octane, 1,8-dibromo-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-
- 1,8-dibromo-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorooctane
- DTXSID80801476
- 647-41-6
-
- Inchi： 1S/C8H4Br2F12/c9-2-1-3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(10,21)22/h1-2H2
- InChI Key： XWVZCTPFAMKPLI-UHFFFAOYSA-N
- SMILES： BrC(C(C(C(C(C(CCBr)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Computed Properties
- Exact Mass: 485.84872
- Monoisotopic Mass: 485.84881g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 22
- Rotatable Bond Count: 7
- Complexity: 404
- 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
- XLogP3: 6.2
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
Octane, 1,8-dibromo-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro- Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
647-41-6 (Octane, 1,8-dibromo-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-) Related Products
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