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CAS No.: | 6257-03-0 |
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Name: | 2,3,5,6-TETRAFLUORONITROBENZENE |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C6HF4NO2 |
Molecular Weight: | 195.073 |
Synonyms: | 2,3,5,6-Tetrafluoronitrobenzene; |
Density: | 1.651 g/cm3 |
Boiling Point: | 223.6 °C at 760 mmHg |
Flash Point: | 89 °C |
PSA: | 45.82000 |
LogP: | 2.67440 |
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The Benzene, 1, 2, 4, 5-tetrafluoro-3-nitro-, with the CAS registry number of 6257-03-0, is also known as 2, 3, 5, 6-Tetrafluoronitrobenzene. This chemical's molecular formula is C6HF4NO2 and molecular weight is 195.07. What's more, its IUPAC name is 1-[(4-Chlorophenyl)methyl]-3, 4-dihydro-2H-quinoline.
Physical properties about Benzene, 1, 2, 4, 5-tetrafluoro-3-nitro- are: (1)ACD/LogP: 1.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.37; (4)ACD/LogD (pH 7.4): 1.37; (5)ACD/BCF (pH 5.5): 6.42; (6)ACD/BCF (pH 7.4): 6.42; (7)ACD/KOC (pH 5.5): 131.78; (8)ACD/KOC (pH 7.4): 131.78; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.82 Å2; (13)Index of Refraction: 1.467; (14)Molar Refractivity: 32.77 cm3; (15)Molar Volume: 118.1 cm3; (16)Polarizability: 12.99×10-24 cm3; (17)Surface Tension: 36.9 dyne/cm; (18)Density: 1.651 g/cm3; (19)Flash Point: 89 °C; (20)Enthalpy of Vaporization: 44.14 kJ/mol; (21)Boiling Point: 223.6 °C at 760 mmHg; (22)Vapour Pressure: 0.142 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1c([N+]([O-])=O)c(F)c(F)cc1F
(2) InChI: InChI=1/C6HF4NO2/c7-2-1-3(8)5(10)6(4(2)9)11(12)13/h1H
(3) InChIKey: YLNJZWIHZRLYRI-UHFFFAOYAG