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16583-13-4

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Basic Information
CAS No.: 16583-13-4
Name: 2-Bromo-3,4,5,6-tetrafluorotoluene
Molecular Structure:
Molecular Structure of 16583-13-4 (2-Bromo-3,4,5,6-tetrafluorotoluene)
Formula: C7H3BrF4
Molecular Weight: 242.998
Synonyms: 2,3,4,5-Tetrafluoro-6-bromotoluene;Toluene,2-bromo-3,4,5,6-tetrafluoro- (8CI);
Density: 1.751 g/cm3
Boiling Point: 174.9 °C at 760 mmHg
Flash Point: 77 °C
PSA: 0.00000
LogP: 3.31390
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Specification

The Benzene, 1-bromo-2, 3, 4, 5-tetrafluoro-6-methyl-, with the CAS registry number 16583-13-4, is also known as 2-Bromo-3, 4, 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, 4, 5-tetrafluoro-6-methylbenzene.

Physical properties about Benzene, 1-bromo-2, 3, 4, 5-tetrafluoro-6-methyl- are: (1)ACD/LogP: 3.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.36; (4)ACD/LogD (pH 7.4): 3.36; (5)ACD/BCF (pH 5.5): 209.79; (6)ACD/BCF (pH 7.4): 209.79; (7)ACD/KOC (pH 5.5): 1597.87; (8)ACD/KOC (pH 7.4): 1597.87; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Vapour Pressure: 1.58 mmHg at 25 °C; (13)Index of Refraction: 1.47; (14)Molar Refractivity: 38.74 cm3; (15)Molar Volume: 138.7 cm3; (16)Polarizability: 15.35×10-24 cm3; (17)Surface Tension: 29.7 dyne/cm; (18)Density: 1.751 g/cm3; (19)Flash Point: 77 °C; (20)Enthalpy of Vaporization: 39.43 kJ/mol; (21)Boiling Point: 174.9 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1c(F)c(F)c(C)c(Br)c1F
(2) InChI: InChI=1/C7H3BrF4/c1-2-3(8)5(10)7(12)6(11)4(2)9/h1H3
(3) InChIKey: XPQFIPQOSFSBOD-UHFFFAOYAC