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3914-19-0

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Basic Information
CAS No.: 3914-19-0
Name: 1,3-Bis(1,1,2,2-tetrafluoroethoxy)benzene
Molecular Structure:
Molecular Structure of 3914-19-0 (1,3-Bis(1,1,2,2-tetrafluoroethoxy)benzene)
Formula: C10H6F8O2
Molecular Weight: 310.144
Synonyms: Benzene,m-bis(1,1,2,2-tetrafluoroethoxy)- (6CI);
EINECS: 223-476-3
Density: 1.443 g/cm3
Boiling Point: 78 °C
Flash Point: 94.8 °C
Hazard Symbols: IrritantXi
PSA: 18.46000
LogP: 4.16000
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Specification

The 1,3-Bis(1,1,2,2-tetrafluoroethoxy)benzene, with the cas registry number of 3914-19-0, is also known as Benzene, 1,3-bis(1,1,2,2-tetrafluoroethoxy)-. Its EINECS number is 223-476-3. This chemical's molecular formula is C10H6F8O2 and formula weight is 310.14. What's more, both its IUPAC name and systematic name are the same which is called 1,3-Bis(1,1,2,2-tetrafluoroethoxy)benzene.

Physical properties about this chemical are: (1)ACD/LogP: 4.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.45; (4)ACD/LogD (pH 7.4): 4.45; (5)ACD/BCF (pH 5.5): 1430.16; (6)ACD/BCF (pH 7.4): 1430.16; (7)ACD/KOC (pH 5.5): 6312.81; (8)ACD/KOC (pH 7.4): 6312.81; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.382; (14)Molar Refractivity: 50.03 cm3; (15)Molar Volume: 214.8 cm3; (16)Surface Tension: 21.2 dyne/cm; (17)Enthalpy of Vaporization: 43.97 kJ/mol; (18)Vapour Pressure: 0.155 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC(=C1)OC(C(F)F)(F)F)OC(C(F)F)(F)F;
(2)InChI: InChI=1S/C10H6F8O2/c11-7(12)9(15,16)19-5-2-1-3-6(4-5)20-10(17,18)8(13)14/h1-4,7-8H;
(3)InChIKey: BGSNJTVHTSPYDP-UHFFFAOYSA-N.