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CAS No.: | 3217-47-8 |
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Name: | 2,3,5,6-TETRAFLUOROTEREPHTHALALDEHYDE |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C8H2F4O2 |
Molecular Weight: | 206.096 |
Synonyms: | 2,3,5,6-Tetrafluoroterephthalaldehyde; |
Density: | 1.59 g/cm3 |
Melting Point: | 130-132℃ |
Boiling Point: | 252.566 °C at 760 mmHg |
Flash Point: | 96.169 °C |
PSA: | 34.14000 |
LogP: | 1.86800 |
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The 1,4-Benzenedicarboxaldehyde,2,3,5,6-tetrafluoro-, with the CAS registry number 3217-47-8, is also known as 2,3,5,6-Tetrafluoroterephthalaldehyde. This chemical's molecular formula is C8H2F4O2 and molecular weight is 206.0939. What's more, its systematic name is 2,3,5,6-Tetrafluorobenzene-1,4-dicarbaldehyde.
Physical properties about 1,4-Benzenedicarboxaldehyde,2,3,5,6-tetrafluoro- are: (1)ACD/LogP: -0.20; (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): 96; (6)ACD/BCF (pH 7.4): 96; (7)ACD/KOC (pH 5.5): 911; (8)ACD/KOC (pH 7.4): 911; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 34.14 Å2; (13)Index of Refraction: 1.525; (14)Molar Refractivity: 39.734 cm3; (15)Molar Volume: 129.604 cm3; (16)Polarizability: 15.752×10-24 cm3; (17)Surface Tension: 39.976 dyne/cm; (18)Density: 1.59 g/cm3; (19)Flash Point: 96.169 °C; (20)Enthalpy of Vaporization: 48.992 kJ/mol; (21)Boiling Point: 252.566 °C at 760 mmHg; (22)Vapour Pressure: 0.019 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1c(C=O)c(F)c(F)c(C=O)c1F
(2) InChI: InChI=1/C8H2F4O2/c9-5-3(1-13)6(10)8(12)4(2-14)7(5)11/h1-2H
(3) InChIKey: WJHRAPYKYJKACM-UHFFFAOYAG