5-Bromo-2-fluoro-m-xylene

The 5-Bromo-2-fluoro-m-xylene, with its CAS registry number 99725-44-7, has the systematic name of 5-bromo-2-fluoro-1,3-dimethylbenzene. And it has the molecular formula of C₈H₈BrF and the molecular weight of 203.05. Being stable in normal temperature and pressure, it could be kept sealed in the dry, cool and well-ventilated place, away from the strong oxidizer. In addition, it belongs to the product categories which include Aromatic Halides (substituted).

The characteristics of 5-Bromo-2-fluoro-m-xylene are as follows: (1)ACD/LogP: 3.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.9; (4)ACD/LogD (pH 7.4): 3.9; (5)ACD/BCF (pH 5.5): 538.67; (6)ACD/BCF (pH 7.4): 538.67; (7)ACD/KOC (pH 5.5): 3138.22; (8)ACD/KOC (pH 7.4): 3138.22; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Ų; (13)Index of Refraction: 1.524; (14)Molar Refractivity: 43.58 cm³; (15)Molar Volume: 142.3 cm³; (16)Polarizability: 17.27×10^-24cm³; (17)Surface Tension: 32.5 dyne/cm; (18)Density: 1.426 g/cm³; (19)Flash Point: 80.4 °C; (20)Enthalpy of Vaporization: 42.32 kJ/mol; (21)Boiling Point: 205 °C at 760 mmHg; (22)Vapour Pressure: 0.366 mmHg at 25°C.

When you are using this chemical, you should be careful. For being irritating to eyes, respiratory system and skin, this chemical may cause inflammation to the skin or other mucous membranes. Therefore, 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:Fc1c(cc(Br)cc1C)C
(2)InChI:InChI=1/C8H8BrF/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,1-2H3
(3)InChIKey:ZXPHUVHMBKRRJF-UHFFFAOYAU
(4)Std. InChI:InChI=1S/C8H8BrF/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,1-2H3
(5)Std. InChIKey:ZXPHUVHMBKRRJF-UHFFFAOYSA-N