3-Bromo-2-fluorotoluene

The Benzene,1-bromo-2-fluoro-3-methyl-, with CAS registry number 59907-12-9, belongs to the following product categories: (1)Aromatic Halides (substituted); (2)Halogen toluene. It has the systematic name of 1-bromo-2-fluoro-3-methylbenzene. And the chemical formula of this chemical is C₇H₆BrF. What's more, its EINECS is 261-981-0.

Physical properties of Benzene,1-bromo-2-fluoro-3-methyl-: (1)ACD/LogP: 3.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.41; (4)ACD/LogD (pH 7.4): 3.41; (5)ACD/BCF (pH 5.5): 231.87; (6)ACD/BCF (pH 7.4): 231.87; (7)ACD/KOC (pH 5.5): 1716.51; (8)ACD/KOC (pH 7.4): 1716.51; (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: 1.526; (14)Molar Refractivity: 38.76 cm³; (15)Molar Volume: 126.1 cm³; (16)Polarizability: 15.36×10^-24cm³; (17)Surface Tension: 33.1 dyne/cm; (18)Density: 1.498 g/cm³; (19)Flash Point: 66.4 °C; (20)Enthalpy of Vaporization: 40.13 kJ/mol; (21)Boiling Point: 182.2 °C at 760 mmHg; (22)Vapour Pressure: 1.12 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Benzene,1-bromo-2-fluoro-3-methyl- 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.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(cccc1Br)C
(2)InChI: InChI=1/C7H6BrF/c1-5-3-2-4-6(8)7(5)9/h2-4H,1H3
(3)InChIKey: LZVNGSFAHGKCDM-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C7H6BrF/c1-5-3-2-4-6(8)7(5)9/h2-4H,1H3
(5)Std. InChIKey: LZVNGSFAHGKCDM-UHFFFAOYSA-N