Bis(2,2,2-trifluoroethyl) phthalate supplier

Name
Bis(2,2,2-trifluoroethyl) phthalate
EINECS
CAS No. 62240-27-1
Density 1.429 g/cm³
Solubility
Melting Point 41 ºC
Formula C₁₂H₈F₆O₄
Boiling Point 257.4 °C at 760 mmHg
Molecular Weight 330.1799
Flash Point 106.2 °C
Transport Information
Appearance white crystalline solid
Safety
Risk Codes R26; R36/37/38; R40; R42/43; R52/53
Molecular Structure
Hazard Symbols T+
Synonyms 1,2-Benzenedicarboxylic acid, bis(2,2,2-trifluoroethyl) ester;Phthalic acid bis(2,2,2-trifluoroethyl) ester;
PSA 52.60000
LogP 3.12480

Bis(2,2,2-trifluoroethyl) phthalate 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

Product Name

Bis(2,2,2-trifluoroethyl) phthalate

Bis(2,2,2-trifluoroethyl) phthalate Specification

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