4-CHLORO-2,5-DIFLUOROBENZOIC ACID

The Benzoic acid,4-chloro-2,5-difluoro-, with the CAS registry number 132794-07-1, has the systematic name of 4-chloro-2,5-difluorobenzoic acid. And the molecular formula of this chemical is C₇H₃ClF₂O₂. It is a kind of off-white crystalline powder, and belongs to the following product categories: Benzoic acid; C7; Carbonyl Compounds; Carboxylic Acids.

The physical properties of Benzoic acid,4-chloro-2,5-difluoro- are as following: (1)ACD/LogP: 2.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.02; (4)ACD/LogD (pH 7.4): -0.52; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.45; (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: 1.534; (14)Molar Refractivity: 38.06 cm³; (15)Molar Volume: 122.3 cm³; (16)Polarizability: 15.09×10^-24cm³; (17)Surface Tension: 46.5 dyne/cm; (18)Density: 1.573 g/cm³; (19)Flash Point: 121.6 °C; (20)Enthalpy of Vaporization: 54.51 kJ/mol; (21)Boiling Point: 277.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00217 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(C(=O)O)c(F)cc1Cl
(2)InChI: InChI=1/C7H3ClF2O2/c8-4-2-5(9)3(7(11)12)1-6(4)10/h1-2H,(H,11,12)
(3)InChIKey: PEPCYJSDHYMIFN-UHFFFAOYAA