Cas no 100482-86-8 (Butanal,4,4,4-trifluoro-3-hydroxy-2-(1-methylethyl)-3-(trifluoromethyl)-)
100482-86-8 structure
Product Name:Butanal,4,4,4-trifluoro-3-hydroxy-2-(1-methylethyl)-3-(trifluoromethyl)-
CAS No:100482-86-8
MF:C8H10F6O2
MW:252.154223918915
CID:196222
PubChem ID:379447
Update Time:2025-04-19
Butanal,4,4,4-trifluoro-3-hydroxy-2-(1-methylethyl)-3-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Butanal,4,4,4-trifluoro-3-hydroxy-2-(1-methylethyl)-3-(trifluoromethyl)-
- 4,4,4-trifluoro-3-hydroxy-2-propan-2-yl-3-(trifluoromethyl)butanal
- 2-(1-Hydroxy-2,2,2-trifluoro-1-trifluoromethyl)ethyl-3-methylbutyraldehyde
- 3-Hydroxy-2-isopropyl-4,4,4-trifluoro-3-trifluoromethylbutyraldehyde
- 4,4,4-Trifluoro-3-hydroxy-2-isopropyl-3-(trifluoromethyl)butanal
- AC1L8E9O
- AC1Q4IEB
- ACMC-20b6io
- Butyraldehyde, 2-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-3-methyl-
- NSC663995
- Butanal, 4,4,4-trifluoro-3-hydroxy-2-(1-methylethyl)-3-(trifluoromethyl)-?
- NSC-663995
- 100482-86-8
- CHEMBL2006602
- DTXSID80905544
- NCI60_022013
- 4,4,4-Trifluoro-3-hydroxy-2-(propan-2-yl)-3-(trifluoromethyl)butanal
-
- Inchi： 1S/C8H10F6O2/c1-4(2)5(3-15)6(16,7(9,10)11)8(12,13)14/h3-5,16H,1-2H3
- InChI Key： OJZOHRDXAXKWNF-UHFFFAOYSA-N
- SMILES： FC(C(C(F)(F)F)(C(C=O)C(C)C)O)(F)F
Computed Properties
- Exact Mass: 252.0585
- Monoisotopic Mass: 252.058
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 240
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Density: 1.334
- Boiling Point: 217.4°Cat760mmHg
- Flash Point: 85.3°C
- Refractive Index: 1.359
- PSA: 37.3
Butanal,4,4,4-trifluoro-3-hydroxy-2-(1-methylethyl)-3-(trifluoromethyl)- Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
-
Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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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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