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2-Iodobenzyl alcohol

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Name

2-Iodobenzyl alcohol

EINECS 225-933-2
CAS No. 5159-41-1 Density 1.867 g/cm3
PSA 20.23000 LogP 1.78350
Solubility Insoluble in water. Melting Point 89-92 °C(lit.)
Formula C7H7IO Boiling Point 288.3 °C at 760 mmHg
Molecular Weight 234.036 Flash Point 128.2 °C
Transport Information N/A Appearance white to yellow or pinkish needle-like powder
Safety 22-24/25 Risk Codes 36/38
Molecular Structure Molecular Structure of 5159-41-1 (2-Iodobenzyl alcohol) Hazard Symbols IrritantXi
Synonyms

Benzylalcohol, o-iodo- (6CI,7CI,8CI);1-Hydroxymethyl-2-iodobenzene;2-(Hydroxymethyl)-1-iodobenzene;2-(Hydroxymethyl)iodobenzene;2-Iodobenzenemethanol;2-Iodophenylmethanol;o-Iodobenzyl alcohol;

Article Data 59

2-Iodobenzyl alcohol Specification

The 2-Iodobenzyl alcohol, with the CAS registry number 5159-41-1, is also known as benzenemethanol, 2-iodo-. In addition, the molecular formula is C7H7IO and molecular weight is 234.03. Its IUPAC name 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)ACD/LogD (pH 5.5): 2.07; (3)ACD/LogD (pH 7.4): 2.07; (4)ACD/BCF (pH 5.5): 21.9; (5)ACD/BCF (pH 7.4): 21.9; (6)ACD/KOC (pH 5.5): 317; (7)ACD/KOC (pH 7.4): 317; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 9.23 Å2; (12)Index of Refraction: 1.648; (13)Molar Refractivity: 45.61 cm3; (14)Molar Volume: 125.3 cm3; (15)Polarizability: 18.08 ×10-24cm3; (16)Surface Tension: 51.9 dyne/cm; (17)Density: 1.867 g/cm3; (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 of 2-Iodobenzyl alcohol: 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 with ambient temperature. The yield is about 99%.

2-Iodobenzyl alcohol can be prepared by 2-iodo-benzoic acid

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

2-Iodobenzyl alcohol can be used to produce 2-iodo-benzaldehyde

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)SMILES: Ic1ccccc1CO
(2)Std.InChI: InChI=1S/C7H7IO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2
(3)Std.InChIKey: WZCXOBMFBKSSFA-UHFFFAOYSA-N

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