Cas no 646507-88-2 (1,1'-Biphenyl, 3,3',5,5'-tetrafluoro-4-methoxy-)
646507-88-2 structure
Product Name:1,1'-Biphenyl, 3,3',5,5'-tetrafluoro-4-methoxy-
CAS No:646507-88-2
MF:C13H8F4O
MW:256.195637702942
CID:420413
PubChem ID:71379320
Update Time:2025-04-19
1,1'-Biphenyl, 3,3',5,5'-tetrafluoro-4-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 1,1'-Biphenyl, 3,3',5,5'-tetrafluoro-4-methoxy-
- 5-(3,5-difluorophenyl)-1,3-difluoro-2-methoxybenzene
- DTXSID20801894
- 3,3',5,5'-Tetrafluoro-4-methoxy-1,1'-biphenyl
- 646507-88-2
-
- Inchi： 1S/C13H8F4O/c1-18-13-11(16)4-8(5-12(13)17)7-2-9(14)6-10(15)3-7/h2-6H,1H3
- InChI Key： XGBIWYIVYQFCEB-UHFFFAOYSA-N
- SMILES： FC1C(=C(C=C(C=1)C1C=C(C=C(C=1)F)F)F)OC
Computed Properties
- Exact Mass: 256.05114
- Monoisotopic Mass: 256.05112752g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 254
- 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: 3.9
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
1,1'-Biphenyl, 3,3',5,5'-tetrafluoro-4-methoxy- 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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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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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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