29574-09-2

The 4-Chloro-N-(4-methylbenzylidene)aniline, with the CAS registry number 29574-09-2, is also known as p-Methylbenzylidene-(4-chlorophenyl)-amine. This chemical's molecular formula is C₁₄H₁₂ClN and molecular weight is 229.71. What's more, its systematic name is 4-chloro-N-[(4-methylphenyl)methylidene]aniline. 

Physical properties of 4-Chloro-N-(4-methylbenzylidene)aniline are: (1)ACD/LogP: 4.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.2; (4)ACD/LogD (pH 7.4): 4.2; (5)ACD/BCF (pH 5.5): 908.81; (6)ACD/BCF (pH 7.4): 912.48; (7)ACD/KOC (pH 5.5): 4557.99; (8)ACD/KOC (pH 7.4): 4576.37; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.36 Å²; (13)Index of Refraction: 1.562; (14)Molar Refractivity: 69.43 cm³; (15)Molar Volume: 214 cm³; (16)Polarizability: 27.52×10^-24cm³; (17)Surface Tension: 36.5 dyne/cm; (18)Density: 1.07 g/cm³; (19)Flash Point: 168.1 °C; (20)Enthalpy of Vaporization: 57.58 kJ/mol; (21)Boiling Point: 354.4 °C at 760 mmHg; (22)Vapour Pressure: 6.87E-05 mmHg at 25°C.

Uses of 4-Chloro-N-(4-methylbenzylidene)aniline: it can be used to produce 1-(4-chloro-phenyl)-3-phenyl-4-p-tolyl-azetidin-2-one by heating. It will need reagent phosphoryl chloride and solvent dimethylformamide with the reaction time of 2 hours. The yield is about 58%.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccc(/N=C/c1ccc(cc1)C)cc2
(2)InChI: InChI=1S/C14H12ClN/c1-11-2-4-12(5-3-11)10-16-14-8-6-13(15)7-9-14/h2-10H,1H3/b16-10+
(3)InChIKey: SVBOXOCGNZRUGS-MHWRWJLKSA-N