CAS No.1514-85-8,difluoro-Propanedioicacid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1514-85-8
Name:	difluoro-Propanedioicacid
Article Data:	14

Formula:	C₃H₂F₂O₄
Molecular Weight:	140.043
Synonyms:	Malonicacid, difluoro- (6CI,7CI,8CI);Propanedioic acid, difluoro- (9CI);Difluoromalonic acid;Perfluoromalonic acid;
Density:	1.789 g/cm³
Melting Point:	117-118 °C
Boiling Point:	315.827 °C at 760 mmHg
Flash Point:	144.808 °C
PSA:	74.60000
LogP:	-0.20910

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Specification

The CAS registry number of Propanedioic acid,2,2-difluoro- is 1514-85-8. This chemical is also named as 2,2-Difluoromalonicacid. In addition, its molecular formula is C₃H₂F₂O₄ and molecular weight is 140.0424. Its systematic name is called difluoropropanedioic acid.

Physical properties about Propanedioic acid,2,2-difluoro- are: (1)ACD/LogP: 1.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3; (4)ACD/LogD (pH 7.4): -3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.41; (13)Molar Refractivity: 19.37 cm³; (14)Molar Volume: 78.251 cm³; (15)Surface Tension: 51.092 dyne/cm; (16)Density: 1.79 g/cm³; (17)Flash Point: 144.808 °C; (18)Enthalpy of Vaporization: 61.259 kJ/mol; (19)Boiling Point: 315.827 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,1,3,3-tetrachloro-1,2,2,3-tetrafluoro-propane. This reaction will need reagent (NH₄)₂S₂O₈/HCO₂Na*2H₂O and solvent dimethylformamide. The reaction time is 5 hours with reaction temperature of 30 °C. The yield is about 57.3%.

Propanedioic acid,2,2-difluoro- can be prepared by 1,1,3,3-tetrachloro-1,2,2,3-tetrafluoro-propane

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(F)(F)C(=O)O
(2)InChI: InChI=1/C3H2F2O4/c4-3(5,1(6)7)2(8)9/h(H,6,7)(H,8,9)
(3)InChIKey: LIHVFFFGWFBSAT-UHFFFAOYAC