4,5-DICHLORO-2-FLUOROBENZOIC ACID

The 4,5-Dichloro-2 -fluorobenzoic acid, with the CAS registry number 289039-49-2, has the systematic name of 4,5-dichloro-2-fluorobenzoic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₇H₃Cl₂FO₂.

The characteristics of 4,5-Dichloro-2 -fluorobenzoic acid are as followings: (1)ACD/LogP: 3.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.34; (4)ACD/LogD (pH 7.4): -0.14; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.24; (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: 1.574; (14)Molar Refractivity: 42.96 cm³; (15)Molar Volume: 130 cm³; (16)Polarizability: 17.03×10^-24cm³; (17)Surface Tension: 51.3 dyne/cm; (18)Density: 1.606 g/cm³; (19)Flash Point: 138 °C; (20)Enthalpy of Vaporization: 57.55 kJ/mol; (21)Boiling Point: 304.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000379 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1cc(C(=O)O)c(F)cc1Cl
(2)InChI: InChI=1/C7H3Cl2FO2/c8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2H,(H,11,12)
(3)InChIKey: XFOJZPTYJMXNKK-UHFFFAOYAM