Cas no 406-40-6 (1,2-Butadiene,4,4,4-trifluoro-)
406-40-6 structure
Product Name:1,2-Butadiene,4,4,4-trifluoro-
1,2-Butadiene,4,4,4-trifluoro- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Butadiene,4,4,4-trifluoro-
- 4,4,4-TRIFLUOROBUTA-1,2-DIENE
- 1,2-Butadiene,4,4,4-trifluoro
- 4,4,4-Trifluor-buta-1,2-dien
- 4,4,4-trifluoro-buta-1,2-diene
- (Trifluoromethyl)allene
- DTXSID80623039
- FT-0692355
- SCHEMBL1471363
- 406-40-6
- BAHJWIMBPOIILA-UHFFFAOYSA-N
-
- Inchi： 1S/C4H3F3/c1-2-3-4(5,6)7/h3H,1H2
- InChI Key： BAHJWIMBPOIILA-UHFFFAOYSA-N
- SMILES： FC(C=C=C)(F)F
Computed Properties
- Exact Mass: 108.01900
- Monoisotopic Mass: 108.01868458g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 7
- Rotatable Bond Count: 0
- Complexity: 94
- 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: 1.6
- Topological Polar Surface Area: 0?2
Experimental Properties
- Density: 1.032
- Boiling Point: 44°C at 760 mmHg
- Refractive Index: 1.319
- PSA: 0.00000
- LogP: 1.88980
1,2-Butadiene,4,4,4-trifluoro- Related Literature
-
1. Addition of free radicals to unsaturated systems. Part IX. The direction of free-radical addition to allene and allyl chlorideR. N. Haszeldine,K. Leedham,B. R. Steele J. Chem. Soc. 1954 2040
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2. Trifluoromethylation of aliphatic halogen compoundsJean-Philippe Bouillon,Christian Maliverney,Robert Merényi,Heinz G. Viehe J. Chem. Soc. Perkin Trans. 1 1991 2147
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3. Potassium fluoride–succinic acid adduct: a fully refined X-ray crystal-structure determination, ab initio calculations of a model system, and the infrared spectrum of a very strong hydrogen-bonded systemJohn Emsley,Deborah J. Jones,Ruth S. Osborn,Richard E. Overill J. Chem. Soc. Dalton Trans. 1982 809
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