6-CHLORO-2-FLUORO-3-METHYLBENZOIC ACID

The Benzoic acid,6-chloro-2-fluoro-3-methyl-, with the CAS registry number 32890-90-7, is also known as 6-Chloro-2-fluoro-m-toluic acid. This chemical's molecular formula is C₈H₆ClFO₂ and molecular weight is 188.58. What's more, its systematic name is 6-Chloro-2-fluoro-3-methylbenzoic acid. The product should be sealed and stored in cool and dry places. It should be protected from bases and oxidizers. Besides, it should be ensured that the workshop is well ventilated or equipped with exhaust device.

Physical properties of Benzoic acid,6-chloro-2-fluoro-3-methyl- are: (1)ACD/LogP: 2.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.96; (4)ACD/LogD (pH 7.4): -1.13; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 42.89 cm³; (15)Molar Volume: 134.3 cm³; (16)Polarizability: 17×10^-24 cm³; (17)Surface Tension: 46 dyne/cm; (18)Density: 1.403 g/cm³; (19)Flash Point: 123 °C; (20)Enthalpy of Vaporization: 54.76 kJ/mol; (21)Boiling Point: 279.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00188 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C(=C(C=C1)Cl)C(=O)O)F
(2)InChI: InChI=1S/C8H6ClFO2/c1-4-2-3-5(9)6(7(4)10)8(11)12/h2-3H,1H3,(H,11,12)
(3)InChIKey: HLQCBMOWEQKVBL-UHFFFAOYSA-N