cas 697-17-6, 1,1,2-TRICHLORO-2,3,3-TRIFLUOROCYCLOBUTANE | Articles data ｜lookchem

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697-17-6

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Molecular structure of 3,4-difluorofuran-2,5-dione (difluoromaleic anhydride) as determined by electron diffraction and microwave spectroscopy in the gas phase and by theoretical computations
The structure of 3,4-difluorofuran-2,5-dione has been determined experimentally in the gas phase by microwave spectroscopy using rotation constants derived from five isotopomers and by a combined analysis of electrondiffraction and microwave data. The geometry is planar with C2v symmetry. Structural parameters [distances (rαo)/pm, angles a/deg, (1α errors)] for the combined analysis are: r(C=O) = 119.0(1); r(C-F) = 130.9(2); r(C=C) = 133.2(3); r(O-C) = 139.3(1); KC-C) = 148.5(2); C-C=C = 108.3(1); ZC=C-F = 129.9-(1); C-C=O = 129.3(1); C-O-C = 108.9(1); O-C-C = 107.2(1). These values are in excellent agreement with those obtained in an ab initio study of the molecular geometry at the MP2/6-311+G (2df) level of theory. The dipole moment of difluoromaleic anhydride has been determined experimentally by Starkeffect measurements to be 1.867(3) D.
Abdo, Basil T.
p. 1758 - 1767
(2007/10/03)

Enantiospecific synthesis of 3-substituted aspartic acids via enzymic amination of substituted fumaric acids
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Akhtar,Botting,Cohen,Gani
p. 5899 - 5908
(2007/10/02)

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Chemical Properties

Appearance/Colour :Clear colorless to pale yellow liquid
Boiling Point: 120 °C(lit.)
Flash Point:119-120°C
Density: 1.594 g/mL at 25 °C(lit.)
Vapor Pressure: 12.4mmHg at 25°C
Refractive Index: n20/D 1.416(lit.)
BRN: 1905850
PSA: 0.00000
LogP: 3.10390

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