CAS No.37697-64-6,4,5-Difluoro-2,2-bis(trifluoromethyl)-1,3-dioxole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	37697-64-6
Name:	4,5-Difluoro-2,2-bis(trifluoromethyl)-1,3-dioxole
Article Data:	4

Formula:	C₅F₈O₂
Molecular Weight:	244.041
Synonyms:	2,2-Bis(trifluoromethyl)-4,5-difluoro-1,3-dioxole;Perfluoro-2,2-dimethyl-1,3-dioxole;
Density:	1.72 g/cm³
Boiling Point:	43 °C at 760 mmHg
Hazard Symbols:	Xi
PSA:	18.46000
LogP:	2.91970

Synthetic route

: 60644-92-0
2,2-bis(trifluoromethyl)-4,5-dichloro-4,5-difluoro-1,3-dioxolane

: 37697-64-6
4,5-Difluoro-2,2-bis(trifluoromethyl)-1,3-dioxole

Conditions

Conditions	Yield
With iodine; zinc at 50℃; for 6h;	62%
With iodine; magnesium In tetrahydrofuran

: 64499-81-6
2,2-bis(trifluoromethyl)-1,3-dioxa-4,4,5,5-tetrachlorocyclopentane

: 37697-64-6
4,5-Difluoro-2,2-bis(trifluoromethyl)-1,3-dioxole

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: zinc; iodine / dimethyl sulfoxide / 8.17 h / 80 - 120 °C / Inert atmosphere 2: 18-crown-6 ether; potassium fluoride / N,N-dimethyl-formamide / 7.67 h / 150 °C / Inert atmosphere View Scheme
Multi-step reaction with 2 steps 1: hydrogen trifluoride triethylamine salt; triethylamine / acetonitrile / 8 h / 100 °C 2: zinc; iodine / 6 h / 50 °C View Scheme

: 4,5-dichloro-2,2-bis(trifluoromethyl)-1,3-dioxol

: 37697-64-6
4,5-Difluoro-2,2-bis(trifluoromethyl)-1,3-dioxole

Conditions

Conditions	Yield
With potassium fluoride; 18-crown-6 ether In N,N-dimethyl-formamide at 150℃; for 7.66667h; Temperature; Reagent/catalyst; Solvent; Inert atmosphere;

: 37697-64-6
4,5-Difluoro-2,2-bis(trifluoromethyl)-1,3-dioxole

: 130760-21-3
perfluoro-2,3-epoxy-3-methylbutyryl fluoride

Conditions

Conditions	Yield
at 250℃;	85%

: 37697-64-6
4,5-Difluoro-2,2-bis(trifluoromethyl)-1,3-dioxole

: 137635-04-2
2,2-bis(trifluoromethyl)-4-iodo-4,5,5-trifluoro-1,3-dioxolane

Conditions

Conditions	Yield
With 10H-phenothiazine; hydrogen fluoride; iodine; hydroquinone; mercury(II) oxide at 50 - 120℃; for 7h;	75%

: 116-14-3
polytetrafluoroethylene

: 37697-64-6
4,5-Difluoro-2,2-bis(trifluoromethyl)-1,3-dioxole

polymer, intrinsic viscosity = 35 ml/g; monomer(s): tetrafluoroethylene; 2,2-bis(trifluoromethyl)-4,5-difluoro-1,3-dioxole, 51.9 mol percent: polymer, intrinsic viscosity = 35 ml/g; monomer(s): tetrafluoroethylene; 2,2-bis(trifluoromethyl)-4,5-difluoro-1,3-dioxole, 51.9 mol percent

Conditions

Conditions	Yield
With bis(perfluoro-2-N-propoxypropionyl) peroxide In carbon dioxide at 35℃; under 103508 Torr; for 5h;	74%

: 116-14-3
polytetrafluoroethylene

: 37697-64-6
4,5-Difluoro-2,2-bis(trifluoromethyl)-1,3-dioxole

copolymer, glass transition temperature: 102 deg C, intrinsic viscosity: 35 mL/g, PDD: 51.9 mol percent (NMR), 54.8 mol percent (IR); monomer(s): tetrafluoroethylene, conc.: 20 percent w/v; 2,2-bis(trifluoromethyl)-4,5-difluoro-1,3-dioxole (PDD), conc.: 20 percent w/v: copolymer, glass transition temperature: 102 deg C, intrinsic viscosity: 35 mL/g, PDD: 51.9 mol percent (NMR), 54.8 mol percent (IR); monomer(s): tetrafluoroethylene, conc.: 20 percent w/v; 2,2-bis(trifluoromethyl)-4,5-difluoro-1,3-dioxole (PDD), conc.: 20 percent w/v

Conditions

Conditions	Yield
With carbon dioxide; bis(perfluoro-2-N-propoxypropionyl) peroxide at 25℃; under 103508 Torr; for 5h;	74%

: 116-14-3
polytetrafluoroethylene

: 37697-64-6
4,5-Difluoro-2,2-bis(trifluoromethyl)-1,3-dioxole

polymer, intrinsic viscosity = 19 ml/g; monomer(s): tetrafluoroethylene; 2,2-bis(trifluoromethyl)-4,5-difluoro-1,3-dioxole, 53.4 mol percent: polymer, intrinsic viscosity = 19 ml/g; monomer(s): tetrafluoroethylene; 2,2-bis(trifluoromethyl)-4,5-difluoro-1,3-dioxole, 53.4 mol percent

Conditions

Conditions	Yield
With bis(perfluoro-2-N-propoxypropionyl) peroxide In carbon dioxide at 35℃; under 103508 Torr; for 5h;	72%

: 116-14-3
polytetrafluoroethylene

: 37697-64-6
4,5-Difluoro-2,2-bis(trifluoromethyl)-1,3-dioxole

copolymer, glass transition temperature: 101 deg C, intrinsic viscosity: 19 mL/g, PDD: 53.4 mol percent (NMR), 53.7 (IR); monomer(s): tetrafluoroethylene, conc.: 23 percent w/v; 2,2-bis(trifluoromethyl)-4,5-difluoro-1,3-dioxole (PDD), conc.: 23 percent w/v: copolymer, glass transition temperature: 101 deg C, intrinsic viscosity: 19 mL/g, PDD: 53.4 mol percent (NMR), 53.7 (IR); monomer(s): tetrafluoroethylene, conc.: 23 percent w/v; 2,2-bis(trifluoromethyl)-4,5-difluoro-1,3-dioxole (PDD), conc.: 23 percent w/v

Conditions

Conditions	Yield
With carbon dioxide; bis(perfluoro-2-N-propoxypropionyl) peroxide at 35℃; under 103508 Torr; for 5h;	72%

: 37697-64-6
4,5-Difluoro-2,2-bis(trifluoromethyl)-1,3-dioxole

: 137635-01-9
2,2-bis(trifluoromethyl)-4,5-difluoro-4,5-diiodo-1,3-dioxolane

Conditions

Conditions	Yield
With iodine In tetrahydrofuran at 70℃;	70%
With iodine
With iodine In tetrahydrofuran

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Specification

The 4,5-Difluoro-2,2-bis(trifluoromethyl)-1,3-dioxole, with the cas registry number of 37697-64-6, is also known as 1,3-Dioxole, 4,5-difluoro-2,2-bis(trifluoromethyl)- and 2,2-Bis(Trifluoromethyl)-4,5-difluoro-1,3-dioxole. Its molecular formula is C₅F₈O₂ and formula weight is 244.04. What's more, both its IUPAC name and systematic name are the same which is called 4,5-Difluoro-2,2-bis(trifluoromethyl)-1,3-dioxole.

Physical properties about this chemical are: (1)ACD/LogP: 4.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.4; (4)ACD/LogD (pH 7.4): 4.4; (5)ACD/BCF (pH 5.5): 1310.66; (6)ACD/BCF (pH 7.4): 1310.66; (7)ACD/KOC (pH 5.5): 5930.58; (8)ACD/KOC (pH 7.4): 5930.58; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.307; (14)Molar Refractivity: 27.06 cm³; (15)Molar Volume: 141.5 cm³; (16)Surface Tension: 16 dyne/cm; (17)Density: 1.72 g/cm³; (18)Enthalpy of Vaporization: 27.53 kJ/mol; (19)Boiling Point: 43 °C at 760 mmHg; (20)Vapour Pressure: 396 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: this chemical may cause inflammation to the skin or other mucous membranes.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1(=C(OC(O1)(C(F)(F)F)C(F)(F)F)F)F;
(2)InChI: InChI=1S/C5F8O2/c6-1-2(7)15-3(14-1,4(8,9)10)5(11,12)13;
(3)InChIKey: YSYRISKCBOPJRG-UHFFFAOYSA-N.