5-FLUORO-2-METHYLANISOLE

The Benzene,4-fluoro-2-methoxy-1-methyl-, with its CAS registry number 95729-22-9, has the systematic name of 4-fluoro-2-methoxy-1-methylbenzene. And it has the molecular formula of C₈H₉FO, and it belongs to the product categories which include Anisole; Anisoles, Alkyloxy Compounds & Phenylacetates; Fluorine Compounds. In addition, being stable in normal temperature and pressure, it should be kept sealed in the cool, dry and well-ventilated place, away from the strong oxidizer.

The characteristics of Benzene,4-fluoro-2-methoxy-1-methyl- are as follows: (1)ACD/LogP: 2.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.7; (4)ACD/LogD (pH 7.4): 2.7; (5)ACD/BCF (pH 5.5): 65.85; (6)ACD/BCF (pH 7.4): 65.85; (7)ACD/KOC (pH 5.5): 697.14; (8)ACD/KOC (pH 7.4): 697.14; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Ų; (13)Index of Refraction: 1.475; (14)Molar Refractivity: 37.75 cm³; (15)Molar Volume: 133.9 cm³; (16)Polarizability: 14.96×10^-24cm³; (17)Surface Tension: 28.2 dyne/cm; (18)Density: 1.046 g/cm³; (19)Flash Point: 50.2 °C; (20)Enthalpy of Vaporization: 37.39 kJ/mol; (21)Boiling Point: 153.2 °C at 760 mmHg; (22)Vapour Pressure: 4.32 mmHg at 25°C.

When you are dealing with this chemical, you should be careful. For being irritating to eyes, respiratory system and skin, this is may cause inflammation to the skin or other mucous. Therefore, you should wear suitable gloves and eye/face protection, and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:Fc1cc(OC)c(cc1)C
(2)InChI:InChI=1/C8H9FO/c1-6-3-4-7(9)5-8(6)10-2/h3-5H,1-2H3
(3)InChIKey:CXTIUQIZWCABPV-UHFFFAOYAL
(4)Std. InChI:InChI=1S/C8H9FO/c1-6-3-4-7(9)5-8(6)10-2/h3-5H,1-2H3
(5)Std. InChIKey:CXTIUQIZWCABPV-UHFFFAOYSA-N