2,3-DIFLUORO-4-METHYLBENZOIC ACID

The Benzoic acid, 2, 3-difluoro-4-methyl-, with the CAS registry number 261763-37-5, is also known as 2, 3-Difluoro-p-toluic acid. This chemical's molecular formula is C₈H₆F₂O₂ and molecular weight is 172.13. What's more, its IUPAC name is 2, 3-Difluoro-4-methylbenzoic acid. This chemical's classification code is . In addition, it must be stored in airtight containers and placed in a dry, cool, ventilated place. Meanwhile, it should be kept away from oxidant.

Physical properties about Benzoic acid, 2, 3-difluoro-4-methyl- are: (1)ACD/LogP: 2.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.17; (4)ACD/LogD (pH 7.4): -0.63; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.54; (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: 1.511; (14)Molar Refractivity: 37.99 cm³; (15)Molar Volume: 126.6 cm³; (16)Polarizability: 15.06×10^-24 cm³; (17)Surface Tension: 41.4 dyne/cm; (18)Density: 1.359 g/cm³; (19)Flash Point: 119.5 °C; (20)Enthalpy of Vaporization: 54.12 kJ/mol; (21)Boiling Point: 274 °C at 760 mmHg; (22)Vapour Pressure: 0.0027 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, you should wear suitable protective clothing. In case of 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(C(=O)O)ccc(c1F)C
(2) InChI: InChI=1/C8H6F2O2/c1-4-2-3-5(8(11)12)7(10)6(4)9/h2-3H,1H3,(H,11,12)
(3) InChIKey: ANVIYYKETYLSRV-UHFFFAOYAN