Cas no 425-22-9 (4-Heptanone,1,1,1,2,2,3,3-heptafluoro-)
425-22-9 structure
Product Name:4-Heptanone,1,1,1,2,2,3,3-heptafluoro-
4-Heptanone,1,1,1,2,2,3,3-heptafluoro- Chemical and Physical Properties
Names and Identifiers
-
- 4-Heptanone,1,1,1,2,2,3,3-heptafluoro-
- 1,1,1,2,2,3,3-heptafluoroheptan-4-one
- NSC-42608
- DTXSID10895222
- NS00109318
- UFFMDNJCTCOCIX-UHFFFAOYSA-N
- NSC42608
- SCHEMBL11542324
- 425-22-9
-
- Inchi： 1S/C7H7F7O/c1-2-3-4(15)5(8,9)6(10,11)7(12,13)14/h2-3H2,1H3
- InChI Key： UFFMDNJCTCOCIX-UHFFFAOYSA-N
- SMILES： FC(C(CCC)=O)(C(C(F)(F)F)(F)F)F
Computed Properties
- Exact Mass: 240.03851
- Monoisotopic Mass: 240.039
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 242
- 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: 3.2
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- Density: 1.337
- Boiling Point: 113°Cat760mmHg
- Flash Point: 35.2°C
- Refractive Index: 1.319
- PSA: 17.07
- LogP: 3.18850
4-Heptanone,1,1,1,2,2,3,3-heptafluoro- Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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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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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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