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53279-82-6

Basic Information
CAS No.: 53279-82-6
Name: 3-Iodo-4-methoxybenzyl alcohol
Article Data: 6
Molecular Structure:
Molecular Structure of 53279-82-6 (3-Iodo-4-methoxybenzyl alcohol)
Formula: C8H9IO2
Molecular Weight: 264.063
Synonyms: Benzenemethanol, 3-iodo-4-methoxy-;(3-Iodo-4-methoxy-phenyl)-methanol;
Density: 1.768 g/cm3
Melting Point: 81-85 °C
Boiling Point: 335.3 °C at 760 mmHg
Flash Point: 156.6 °C
Hazard Symbols: ToxicT
Risk Codes: 25
Safety: 45
PSA: 29.46000
LogP: 1.79210
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Specification

The 3-Iodo-4-methoxybenzyl alcohol, with the CAS registry number 53279-82-6, is also known as (3-Iodo-4-methoxy-phenyl)-methanol and Benzenemethanol, 3-iodo-4-methoxy-. It belongs to the product categories of Alcohols; Anisoles, Alkyloxy Compounds & Phenylacetates; Iodine Compounds; C7 to C8; Oxygen Compounds. This chemical's molecular formula is C8H9IO2 and molecular weight is 264.0603. What's more, its systematic name is called (3-Iodo-4-methoxyphenyl)methanol.

Physical properties about 3-Iodo-4-methoxybenzyl alcohol are: (1)ACD/LogP: 2.09; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 18.46 Å2; (7)Index of Refraction: 1.617; (8)Molar Refractivity: 52.28 cm3; (9)Molar Volume: 149.3 cm3; (10)Polarizability: 20.72×10-24 cm3; (11)Surface Tension: 48 dyne/cm; (12)Density: 1.768 g/cm3; (13)Flash Point: 156.6 °C; (14)Enthalpy of Vaporization: 61.04 kJ/mol; (15)Boiling Point: 335.3 °C at 760 mmHg; (16)Vapour Pressure: 4.77E-05 mmHg at 25 °C; (17)Melting Point: 81-85 °C.

When you are dealing with this chemical, you should be very careful. It is toxic if swallowed. Therefore, you should wear suitable protective clothing. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1) SMILES: Ic1cc(ccc1OC)CO
(2) InChI: InChI=1/C8H9IO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4,10H,5H2,1H3
(3) InChIKey: KZPCWHSKIBZFFS-UHFFFAOYAQ