Benzenemethanol,2-iodo- (5159-41-1)

The 2-Iodobenzyl alcohol, with the CAS registry number 5159-41-1, is also known as Benzenemethanol, 2-iodo-. It belongs to the product categories of Benzhydrols, Benzyl & Special Alcohols; Alcohols; Iodine Compounds; C7 to C8; Oxygen Compounds. Its EINECS registry number is 225-933-2. This chemical's molecular formula is C₇H₇IO and molecular weight is 234.03. Its IUPAC name and systematic name are the same which is called (2-iodophenyl)methanol. This chemical is white to yellow or pinkish needle-like powder.

Physical properties of 2-Iodobenzyl alcohol: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.07; (4)ACD/LogD (pH 7.4): 2.07; (5)ACD/BCF (pH 5.5): 21.9; (6)ACD/BCF (pH 7.4): 21.9; (7)ACD/KOC (pH 5.5): 317; (8)ACD/KOC (pH 7.4): 317; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.648; (13)Molar Refractivity: 45.61 cm³; (14)Molar Volume: 125.3 cm³; (15)Surface Tension: 51.9 dyne/cm; (16)Density: 1.867 g/cm³; (17)Melting Point: 89-92 °C(lit.); (18)Flash Point: 128.2 °C; (19)Enthalpy of Vaporization: 55.71 kJ/mol; (20)Boiling Point: 288.3 °C at 760 mmHg; (21)Vapour Pressure: 0.00109 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-iodo-benzoic acid. This reaction will need reagent BH₃SMe₂ and solvent tetrahydrofuran. The reaction time is 12 hours. The yield is about 99%.

Uses of 2-Iodobenzyl alcohol: it can be used to produce 2-iodo-benzaldehyde at temperature of 20 °C. This reaction is a kind of Oxidation. It will need reagent MnO₂ and solvent CHCl₃ with reaction time of 1 hours. The yield is about 91%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes and skin. You should not breathe its dust. In addition, you are avoided contacting it with skin and eyes.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C(=C1)CO)I
(2)InChI: InChI=1S/C7H7IO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2
(3)InChIKey: WZCXOBMFBKSSFA-UHFFFAOYSA-N