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CAS No.: | 66256-28-8 |
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Name: | 5-FLUORO-2-IODOTOLUENE |
Molecular Structure: | |
Formula: | C7H6FI |
Molecular Weight: | 236.028 |
Synonyms: | 2-Methyl-4-fluoroiodobenzene;4-Fluoro-1-iodo-2-methylbenzene;5-Fluoro-2-iodotoluene; |
Density: | 1.788 g/cm3 |
Boiling Point: | 206.8 °C at 760 mmHg |
Flash Point: | 82.1 °C |
PSA: | 0.00000 |
LogP: | 2.73870 |
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The Benzene,4-fluoro-1-iodo-2-methyl-, with the CAS registry number 66256-28-8, is also known as 2-Methyl-4-fluoroiodobenzene. It belongs to the product category of Halogen Toluene. This chemical's molecular formula is C7H6FI and formula weight is 236.03. What's more, its systematic name is 4-fluoro-1-iodo-2-methylbenzene.
Physical properties of Benzene,4-fluoro-1-iodo-2-methyl- are: (1)ACD/LogP: 3.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.69; (4)ACD/LogD (pH 7.4): 3.69; (5)ACD/BCF (pH 5.5): 375.84; (6)ACD/BCF (pH 7.4): 375.84; (7)ACD/KOC (pH 5.5): 2425.44; (8)ACD/KOC (pH 7.4): 2425.44; (9)Index of Refraction: 1.58; (10)Molar Refractivity: 43.97 cm3; (11)Molar Volume: 131.9 cm3; (12)Surface Tension: 37.9 dyne/cm; (13)Density: 1.788 g/cm3; (14)Flash Point: 82.1 °C; (15)Enthalpy of Vaporization: 42.5 kJ/mol; (16)Boiling Point: 206.8 °C at 760 mmHg; (17)Vapour Pressure: 0.334 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1F)[N+](=O)[O-])I
(2)InChI: InChI=1S/C6H3FINO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H
(3)InChIKey: ANPFMDLUEWNKIM-UHFFFAOYSA-N