Cas no 84100-12-9 (1,4-Heptadiene,5,6,6,7,7,7-hexafluoro-4-(trifluoromethyl)-)
84100-12-9 structure
Product Name:1,4-Heptadiene,5,6,6,7,7,7-hexafluoro-4-(trifluoromethyl)-
CAS No:84100-12-9
MF:C8H5F9
MW:272.110934019089
CID:721978
PubChem ID:3019663
Update Time:2025-04-19
1,4-Heptadiene,5,6,6,7,7,7-hexafluoro-4-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Heptadiene,5,6,6,7,7,7-hexafluoro-4-(trifluoromethyl)-
- 5,6,6,7,7,7-hexafluoro-4-(trifluoromethyl)hepta-1,4-diene
- DTXSID10880996
- 5,6,6,7,7,7-Hexafluoro-4-(trifluoromethyl)-1,4-heptadiene
- 2-(2-Propenyl)perfluoro-2-pentene
- 84100-12-9
- NS00019260
-
- Inchi： 1S/C8H5F9/c1-2-3-4(7(12,13)14)5(9)6(10,11)8(15,16)17/h2H,1,3H2
- InChI Key： OMUNRUKWZBLGRN-UHFFFAOYSA-N
- SMILES： FC(C(F)(F)F)(C(=C(C(F)(F)F)CC=C)F)F
Computed Properties
- Exact Mass: 272.024754
- Monoisotopic Mass: 272.024754
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 317
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 0
- XLogP3: 4.6
Experimental Properties
- Density: 1.373
- Boiling Point: 119.4°C at 760 mmHg
- Flash Point: 30.3°C
- Refractive Index: 1.325
1,4-Heptadiene,5,6,6,7,7,7-hexafluoro-4-(trifluoromethyl)- Related Literature
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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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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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