Cas no 16045-27-5 (Cyclohexane, 1,2,3,4,5-pentabromo-)
16045-27-5 structure
Product Name:Cyclohexane, 1,2,3,4,5-pentabromo-
CAS No:16045-27-5
MF:C6H7Br5
MW:478.639778375626
CID:1339615
PubChem ID:19829549
Update Time:2025-04-20
Cyclohexane, 1,2,3,4,5-pentabromo- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexane, 1,2,3,4,5-pentabromo-
- 1,2,3,4,5-pentabromocyclohexane
- 16045-27-5
- DTXSID80600406
- SCHEMBL162348
-
- Inchi: 1S/C6H7Br5/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6H,1H2
- InChI Key: OAZNZCZMWPTHNP-UHFFFAOYSA-N
- SMILES: BrC1C(C(CC(C1Br)Br)Br)Br
Computed Properties
- Exact Mass: 473.64631
- Monoisotopic Mass: 473.64646g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 125
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.5
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
Cyclohexane, 1,2,3,4,5-pentabromo- Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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