CAS No.62240-27-1,Bis(2,2,2-trifluoroethyl) phthalate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	62240-27-1
Name:	Bis(2,2,2-trifluoroethyl) phthalate

Formula:	C₁₂H₈F₆O₄
Molecular Weight:	330.1799
Synonyms:	1,2-Benzenedicarboxylic acid, bis(2,2,2-trifluoroethyl) ester;Phthalic acid bis(2,2,2-trifluoroethyl) ester;
Density:	1.429 g/cm³
Melting Point:	41 ºC
Boiling Point:	257.4 °C at 760 mmHg
Flash Point:	106.2 °C
Appearance:	white crystalline solid
Hazard Symbols:	T+
Risk Codes:	R26; R36/37/38; R40; R42/43; R52/53
PSA:	52.60000
LogP:	3.12480

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Specification

The Bis(2,2,2-trifluoroethyl) phthalate, with the CAS registry number 62240-27-1, is also known as 1,2-Benzenedicarboxylic acid, bis(2,2,2-trifluoroethyl) ester. This chemical's molecular formula is C₁₂H₈F₆O₄ and molecular weight is 330.1799. It is white crystalline solid. What's more, both its IUPAC name and systematic name are the same which is called Bis(2,2,2-trifluoroethyl) benzene-1,2-dicarboxylate. Besides, it must be stored in sealed container and palced in a cool, dry place. Storage place must stay away from oxidant, light, heat.

Physical properties about Bis(2,2,2-trifluoroethyl) phthalate are: (1)ACD/LogP: 4.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.24; (4)ACD/LogD (pH 7.4): 4.24; (5)ACD/BCF (pH 5.5): 985.63; (6)ACD/BCF (pH 7.4): 985.63; (7)ACD/KOC (pH 5.5): 4836.16; (8)ACD/KOC (pH 7.4): 4836.16; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.432; (14)Molar Refractivity: 59.97 cm³; (15)Molar Volume: 231 cm³; (16)Polarizability: 23.77×10^-24cm³; (17)Surface Tension: 30.6 dyne/cm; (18)Density: 1.429 g/cm³; (19)Flash Point: 106.2 °C; (20)Enthalpy of Vaporization: 49.49 kJ/mol; (21)Boiling Point: 257.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0146 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC(F)(F)F)c1ccccc1C(=O)OCC(F)(F)F
(2) InChI: InChI=1/C12H8F6O4/c13-11(14,15)5-21-9(19)7-3-1-2-4-8(7)10(20)22-6-12(16,17)18/h1-4H,5-6H2
(3) InChIKey: PSRBRNHUQJKQHV-UHFFFAOYAE