4-IODO-N-METHYLANILINE

The Benzenamine,4-iodo-N-methyl-, with the CAS registry number 60577-34-6, is also known as N-Methyl-4-iodoaniline. This chemical's molecular formula is C₇H₈IN and molecular weight is 233.05. What's more, its IUPAC name is 4-iodo-N-methylaniline.

Physical properties of Benzenamine,4-iodo-N-methyl- are: (1)ACD/LogP: 3.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.01; (4)ACD/LogD (pH 7.4): 3.02; (5)ACD/BCF (pH 5.5): 114.22; (6)ACD/BCF (pH 7.4): 116.58; (7)ACD/KOC (pH 5.5): 1027.98; (8)ACD/KOC (pH 7.4): 1049.2; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.667; (14)Molar Refractivity: 48.76 cm³; (15)Molar Volume: 130.9 cm³; (16)Polarizability: 19.33×10^-24cm³; (17)Surface Tension: 46.3 dyne/cm; (18)Density: 1.779 g/cm³; (19)Flash Point: 111.7 °C; (20)Enthalpy of Vaporization: 49.88 kJ/mol; (21)Boiling Point: 261.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0118 mmHg at 25°C.

Preparation of Benzenamine,4-iodo-N-methyl-: this chemical can be prepared by N-methyl-aniline. This reaction will need reagents benzyltriethylammonium dichloroiodate, NaHCO₃ and solvents methanol, CH₂Cl₂. The yield is about 98%.

Uses of Benzenamine,4-iodo-N-methyl-: it can be used to produce N-(4-iodo-phenyl)-N-methyl-S-trimethylsilanylethynyl-thiohydroxylamine at the ambient temperature. It will need reagent methanesulfonic acid and solvent 1,2-dimethoxy-ethane with the reaction time of 16 hours. The yield is about 46%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CNC1=CC=C(C=C1)I
(2)InChI: InChI=1S/C7H8IN/c1-9-7-4-2-6(8)3-5-7/h2-5,9H,1H3
(3)InChIKey: IZVRDZGBMDYYQT-UHFFFAOYSA-N