1-Chloro-2,5-difluorobenzene

The Benzene,2-chloro-1,4-difluoro-, with the CAS registry number 2367-91-1, is also known as 1-Chloro-2,5-difluorobenzene. It belongs to the product categories of Aryl; C₆; Halogenated Hydrocarbons. This chemical's molecular formula is C₆H₃ClF₂ and formula weight is 148.54. What's more, its IUPAC name is 2-chloro-1,4-difluorobenzene.

Physical properties of Benzene,2-chloro-1,4-difluoro- are: (1)ACD/LogP: 2.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.65; (4)ACD/BCF (pH 5.5): 61.09; (5)ACD/KOC (pH 5.5): 660.71; (6)Index of Refraction: 1.478; (7)Molar Refractivity: 31.13 cm³; (8)Molar Volume: 109.8 cm³; (9)Surface Tension: 30.1 dyne/cm; (10)Density: 1.352 g/cm³; (11)Flash Point: 33 °C; (12)Enthalpy of Vaporization: 35.64 kJ/mol; (13)Boiling Point: 134.2 °C at 760 mmHg; (14)Vapour Pressure: 10.1 mmHg at 25°C.

Uses of Benzene,2-chloro-1,4-difluoro-: it can be used to produce 2,5-difluoro-2'-methyl-biphenyl at the temperature of 95°C. It will need reagent Ni(dppf)Cl₂, K₃PO₄ and solvent dioxane with the reaction time of 16 hours. The yield is about 40%.

When you are using this chemical, please be cautious about it as the following:
It is flammable and irritating to eyes, respiratory system and skin. It is harmful by inhalation, in contact with skin and if swallowed. You must keep this chemical away from sources of ignition - No smoking. When using it, you should wear suitable protective clothing and suitable gloves and eye/face protection. In case of contact with eyes, you need rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1F)Cl)F
(2)InChI: InChI=1S/C6H3ClF2/c7-5-3-4(8)1-2-6(5)9/h1-3H
(3)InChIKey: XWCKSJOUZQHFKI-UHFFFAOYSA-N