5-fluoro-M-xylene (461-97-2)

The 1-Fluoro-3,5-dimethylbenzene, with CAS registry number 461-97-2, belongs to the following product categories: (1)Aromatic Halides (substituted); (2)Halogen toluene. It has the systematic name of 1-fluoro-3,5-dimethylbenzene. Its refractive index is 1.475. Besides this, it is also called Benzene, 1-fluoro-3,5-dimethyl-.

Physical properties about this chemical are: (1)ACD/LogP: 3.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.19; (4)ACD/LogD (pH 7.4): 3.19; (5)ACD/BCF (pH 5.5): 156.5; (6)ACD/BCF (pH 7.4): 156.5; (7)ACD/KOC (pH 5.5): 1295.52; (8)ACD/KOC (pH 7.4): 1295.52; (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: 1.48; (14)Molar Refractivity: 35.89 cm³; (15)Molar Volume: 126.1 cm³; (16)Polarizability: 14.23×10^-24cm³; (17)Surface Tension: 27.7 dyne/cm; (18)Enthalpy of Vaporization: 36.85 kJ/mol; (19)Vapour Pressure: 5.61 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 1-Fluoro-3,5-dimethylbenzene irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides this, this chemical is flammable, so keep it 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(cc(c1)C)C
(2)InChI: InChI=1/C8H9F/c1-6-3-7(2)5-8(9)4-6/h3-5H,1-2H3
(3)InChIKey: RCWIWNUVHNAUQC-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C8H9F/c1-6-3-7(2)5-8(9)4-6/h35H,1-2H3
(5)Std. InChIKey: RCWIWNUVHNAUQC-UHFFFAOYSA-N