4-Iodobenzylamine (39959-59-6)

The 4-Iodobenzylamine with the CAS number 39959-59-6 is also called Benzenemethanamine,4-iodo-. The IUPAC name is (4-iodophenyl)methanamine. Its molecular formula is C₇H₈IN. This chemical belongs to the following product categories: (1)Aminomethyl's; (2)Phenyls & Phenyl-Het.

The properties of the chemical are: (1)ACD/LogP: 2.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.86; (4)ACD/LogD (pH 7.4): 0.42; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 6.76; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.644; (14)Molar Refractivity: 47.61 cm³; (15)Molar Volume: 131.4 cm³; (16)Polarizability: 18.87×10^-24cm³; (17)Surface Tension: 49.4 dyne/cm; (18)Enthalpy of Vaporization: 48.77 kJ/mol; (19)Vapour Pressure: 0.0217 mmHg at 25°C.

Uses: This chemical can react with bromoacetyl bromide to prepare 2-bromo-N-(4-iodo-benzyl)-acetamide. This reaction needs reagent N-methylmorpholine and solvent CH₂Cl₂ at temperature of 25 °C. The reaction time is 10 hours. The yield is 65%. The type of this reaction is Acylation.

While using this chemical, you should be very cautious. This chemical can cause burns. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Finally in case of accident or if you feel unwell, you should seek medical advice immediately (show the label whenever possible).

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1ccc(cc1)CN
(2)InChI: InChI=1/C7H8IN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2
(3)InChIKey: KCGZGJOBKAXVSU-UHFFFAOYAO