2,4-Difluorotoluene

The 2,4-Difluorotoluene, with the CAS registry number 452-76-6, is also known as Difluorotoluene. It belongs to the product categories of Fluorin-Contained Toluene Series; Fluorobenzene; Aromatic Hydrocarbons (substituted) & Derivatives; Halogen Toluene; Miscellaneous; Aryl; C7; Halogenated Hydrocarbons; Fluorinated Benzene Series. Its EINECS registry number is 207-211-9. This chemical's molecular formula is C₇H₆F₂ and molecular weight is 128.12. What's more, both its IUPAC name and systematic name are the same which is called 2,4-Difluoro-1-methylbenzene.

Physical properties about 2,4-Difluorotoluene are: (1)ACD/LogP: 2.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.82; (4)ACD/LogD (pH 7.4): 2.82; (5)ACD/BCF (pH 5.5): 81.79; (6)ACD/BCF (pH 7.4): 81.79; (7)ACD/KOC (pH 5.5): 814.19; (8)ACD/KOC (pH 7.4): 814.19; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.456; (14)Molar Refractivity: 31.06 cm³; (15)Molar Volume: 114.1 cm³; (16)Surface Tension: 26.5 dyne/cm; (17)Density: 1.122 g/cm³; (18)Flash Point: 15 °C; (19)Enthalpy of Vaporization: 33.85 kJ/mol; (20)Boiling Point: 114.7 °C at 760 mmHg; (21)Vapour Pressure: 23.4 mmHg at 25 °C.

Uses of 2,4-Difluorotoluene: it is used to produce other chemicals. For example, it can produce 1,5-Difluoro-2-iodo-4-methyl-benzene. This reaction needs reagent N-iodosuccinimide and solvent trifluoroacetic acid at temperature of 25 °C. The reaction time is 12 hours. The yield is 85 %.

When you are dealing with this chemical, you should be very careful. This chemical may catch fire in contact with air, only need brief contact with an ignition source and have a very low flash point or evolve highly flammable gases in contact with water. It has an extremely low flash point and boiling point, and gases that catch fire in contact with air. Therefore, you should keep away from sources of ignition and take precautionary measures against static discharges.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cc(F)c(cc1)C
(2) InChI: InChI=1S/C7H6F2/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3
(3) InChIKey: MPXDAIBTYWGBSL-UHFFFAOYSA-N