2-(chloromethyl)quinoline

The Quinoline,2-(chloromethyl)-, with the CAS registry number of 4377-41-7, is also known as 2-(Chloromethyl)quinoline hydrochloride. Its EINECS registry number is 224-479-2. This chemical's molecular formula is C₁₀H₈ClN and molecular weight is 177.63022. What's more, its IUPAC name is 2-(Chloromethyl)quinoline.

Physical properties about the Quinoline,2-(chloromethyl)- are: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.35; (4)ACD/LogD (pH 7.4): 2.35; (5)ACD/BCF (pH 5.5): 35.79; (6)ACD/BCF (pH 7.4): 36.13; (7)ACD/KOC (pH 5.5): 449.43; (8)ACD/KOC (pH 7.4): 453.67; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.89 Å²; (13)Index of Refraction: 1.638; (14)Molar Refractivity: 51.95 cm³; (15)Molar Volume: 144.4 cm³; (16)Surface Tension: 48.1 dyne/cm; (17)Density: 1.229 g/cm³; (18)Flash Point: 155.9 °C; (19)Enthalpy of Vaporization: 50.68 kJ/mol; (20)Boiling Point: 288.8 °C at 760 mmHg; (21)Vapour Pressure: 0.00398 mmHg at 25 °C.

Preparation: this chemical is prepared by 2-Methyl-quinoline 1-oxide. The reaction needs reagent Benzenesulfonyl chloride and solvent Toluene. The reaction time is 2 h with reaction temperature of 80 °C. The yield is about 72 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 2-Chloromethyl-quinoline-1-oxide. This reaction needs reagent m-Chloroperbenzoic acid. Meanwhile, it needs solvent CHCl₃. The reaction time is 12 h. The yield is about 69 %.

You can still convert the following datas into molecular structure:
(1) SMILES: ClCc1nc2ccccc2cc1
(2) InChI: InChI=1/C10H8ClN/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-6H,7H2
(3) InChIKey: DDEAEWMDOSXKBX-UHFFFAOYAV