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CAS No.: | 33564-68-0 |
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Name: | 4-Bromo-2,3,5,6-tetrafluorotoluene |
Molecular Structure: | |
Formula: | C7H3BrF4 |
Molecular Weight: | 242.9963 |
Synonyms: | Toluene,4-bromo-2,3,5,6-tetrafluoro- (8CI);1-Bromo-4-methyl-2,3,5,6-tetrafluorobenzene;2,3,5,6-Tetrafluoro-4-bromotoluene; |
Density: | 1.751 g/cm3 |
Boiling Point: | 175.7 °C at 760 mmHg |
Flash Point: | 77.7 °C |
PSA: | 0.00000 |
LogP: | 3.31390 |
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The Benzene, 1-bromo-2, 3, 5, 6-tetrafluoro-4-methyl-, with the CAS registry number 33564-68-0, is also known as 4-Bromo-2, 3, 5, 6-tetrafluorotoluene. This chemical's molecular formula is C7H3BrF4 and molecular weight is 242.9963. What's more, its IUPAC name is 1-Bromo-2, 3, 5, 6-tetrafluoro-4-methylbenzene.
Physical properties about Benzene, 1-bromo-2, 3, 5, 6-tetrafluoro-4-methyl- are: (1)ACD/LogP: 3.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.49; (4)ACD/LogD (pH 7.4): 3.49; (5)ACD/BCF (pH 5.5): 266.2; (6)ACD/BCF (pH 7.4): 266.2; (7)ACD/KOC (pH 5.5): 1894.83; (8)ACD/KOC (pH 7.4): 1894.83; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.47; (13)Molar Refractivity: 38.74 cm3; (14)Molar Volume: 138.7 cm3; (15)Polarizability: 15.35×10-24 cm3; (16)Surface Tension: 29.7 dyne/cm; (17)Density: 1.751 g/cm3; (18)Flash Point: 77.7 °C; (19)Enthalpy of Vaporization: 39.51 kJ/mol; (20)Boiling Point: 175.7 °C at 760 mmHg; (21)Vapour Pressure: 1.52 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1c(C)c(F)c(F)c(Br)c1F
(2) InChI: InChI=1/C7H3BrF4/c1-2-4(9)6(11)3(8)7(12)5(2)10/h1H3
(3) InChIKey: CXHWIERFOQRRTJ-UHFFFAOYAL