3-Chloro-2,4-difluorobenzoic acid

3-Chloro-2,4-difluorobenzoic acid is an organic compound with the formula C₇H₃ClF₂O₂, and its systematic name is the same with the product name. With the CAS registry number 154257-75-7, it is also named as 2,4-Difluoro-3-chlorobenzoic acid. It belongs to the product category of Benzoic acid. In addition, the molecular weight is 192.55.

Physical properties of 3-Chloro-2,4-difluorobenzoic acid are: (1)ACD/LogP: 3.294; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.76; (4)ACD/LogD (pH 7.4): 0.16; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 4.28; (8)ACD/KOC (pH 7.4): 1.09; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.3 Å²; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 38.066 cm³; (15)Molar Volume: 122.333 cm³; (16)Polarizability: 15.09×10^-24cm³; (17)Surface Tension: 46.54 dyne/cm; (18)Density: 1.574 g/cm³; (19)Flash Point: 121.149 °C; (20)Enthalpy of Vaporization: 54.424 kJ/mol; (21)Boiling Point: 276.707 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25°C.

Preparation: it can be used to produce 2,4-difluoro-benzoic acid at the temperature of -90 °C. It will need reagents s-BuLi, TMEDA, hexachloroethane and solvent tetrahydrofuran with the reaction time of 30 min. The yield is about 60%.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. 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 to wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(C(=O)O)c(F)c1Cl
(2)Std. InChI: InChI=1S/C7H3ClF2O2/c8-5-4(9)2-1-3(6(5)10)7(11)12/h1-2H,(H,11,12)
(3)Std. InChIKey: YGYZTZAEZMCPSC-UHFFFAOYSA-N