5-Chloro-2-fluorotoluene

The Benzene,4-chloro-1-fluoro-2-methyl-, with the CAS registry number 452-66-4, is also known as 5-Chloro-2-fluorotoluene. It belongs to the product categories of Fluorin-contained toluene series; Aromatic Halides (substituted); Halogen toluene; Aryl; C₇; Halogenated Hydrocarbons. Its EINECS number is 207-204-0. This chemical's molecular formula is C₇H₆ClF and formula weight is 144.57. What's more, its IUPAC name is 4-chloro-1-fluoro-2-methylbenzene.

Physical properties of Benzene,4-chloro-1-fluoro-2-methyl- are: (1)ACD/LogP: 3.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.28; (4)ACD/LogD (pH 7.4): 3.28; (5)ACD/BCF (pH 5.5): 181.6; (6)ACD/BCF (pH 7.4): 181.6; (7)ACD/KOC (pH 5.5): 1441.05; (8)ACD/KOC (pH 7.4): 1441.05; (9)Index of Refraction: 1.502; (10)Molar Refractivity: 35.96 cm³; (11)Molar Volume: 121.8 cm³; (12)Surface Tension: 31.1 dyne/cm; (13)Density: 1.186 g/cm³; (14)Flash Point: 52.5 °C; (15)Enthalpy of Vaporization: 38.28 kJ/mol; (16)Boiling Point: 162.7 °C at 760 mmHg; (17)Vapour Pressure: 2.8 mmHg at 25°C.

Uses of Benzene,4-chloro-1-fluoro-2-methyl-: it can be used to produce 5-chloro-2-fluorobenzyl bromide by heating. It will need reagent NBS, benzoyl peroxide and solvent CCl₄ with the reaction time of 5 hours. The yield is about 88%.

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

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C=CC(=C1)Cl)F
(2)InChI: InChI=1S/C7H6ClF/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
(3)InChIKey: JOXXHDGUTVUBDL-UHFFFAOYSA-N