2,4-DICHLOROQUINOLINE

The Quinoline,2,4-dichloro-, with CAS registry number 703-61-7, belongs to the following product category: Pharmacetical. It has the systematic name of 2,4-dichloroquinoline. And the chemical formula of this chemical is C₉H₅Cl₂N.

Physical properties of Quinoline,2,4-dichloro-: (1)ACD/LogP: 3.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.42; (4)ACD/LogD (pH 7.4): 3.42; (5)ACD/BCF (pH 5.5): 232.96; (6)ACD/BCF (pH 7.4): 232.96; (7)ACD/KOC (pH 5.5): 1722.28; (8)ACD/KOC (pH 7.4): 1722.28; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å²; (13)Index of Refraction: 1.66; (14)Molar Refractivity: 51.97 cm³; (15)Molar Volume: 140.6 cm³; (16)Polarizability: 20.6×10^-24cm³; (17)Surface Tension: 51.5 dyne/cm; (18)Density: 1.407 g/cm³; (19)Flash Point: 154.2 °C; (20)Enthalpy of Vaporization: 49.89 kJ/mol; (21)Boiling Point: 281 °C at 760 mmHg; (22)Vapour Pressure: 0.00623 mmHg at 25°C.

Preparation: this chemical can be prepared by 2,4-dichloroquinoline-3-carbaldehyde. This reaction will need reagent 40% aq. NaOH. The reaction time is 1 hour(s). The yield is about 70%.

Uses of Quinoline,2,4-dichloro-: it can be used to produce 2-azido-4-chloro-quinoline. This reaction will need reagent sodium azide and solvent dimethylformamide. The reaction time is 3 hour(s) with reaction temperature of 40 ℃. The yield is about 78%.

When you are using this chemical, please be cautious about it as the following:
The Quinoline,2,4-dichloro- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: Clc1c2ccccc2nc(Cl)c1
(2)InChI: InChI=1/C9H5Cl2N/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5H
(3)InChIKey: QNBJYUUUYZVIJP-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C9H5Cl2N/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5H
(5)Std. InChIKey: QNBJYUUUYZVIJP-UHFFFAOYSA-N