2,4-Dimethoxyiodobenzene

The Benzene,1-iodo-2,4-dimethoxy-, with the CAS registry number 20469-63-0, is also known as 1,3-Dimethoxy-4-iodobenzene. It belongs to the product categories of Aromatic Halides (substituted); Anisoles, Alkyloxy Compounds & Phenylacetates; Iodine Compounds; Ethers; Organic Building Blocks; Oxygen Compounds. This chemical's molecular formula is C₈H₉IO₂ and formula weight is 264.06. What's more, its IUPAC name is 1-iodo-2,4-dimethoxybenzene.

Physical properties of Benzene,1-iodo-2,4-dimethoxy- are: (1)ACD/LogP: 3.30; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 189.26; (4)ACD/KOC (pH 5.5): 1484.29; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 18.46 Å²; (9)Index of Refraction: 1.572; (10)Molar Refractivity: 52.51 cm³; (11)Molar Volume: 159.5 cm³; (12)Surface Tension: 38 dyne/cm; (13)Density: 1.655 g/cm³; (14)Flash Point: 125.7 °C; (15)Enthalpy of Vaporization: 50.23 kJ/mol; (16)Boiling Point: 284.3 °C at 760 mmHg; (17)Vapour Pressure: 0.00515 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,3-dimethoxy-benzene at the temperature of 20°C. This reaction will need reagent tetrabutylammonium peroxydisulfate, I₂ and solvent acetonitrile with the reaction time of 0.7 hour. The yield is about 95%.

Uses of Benzene,1-iodo-2,4-dimethoxy-: it can be used to produce 1,5-diiodo-2,4-dimethoxy-benzene at the temperature of 20°C. It will need reagent sodium NaI, DMD, aq. H₂SO₄ and solvent acetone with the reaction time of 1 min. The yield is about 90%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes and skin. In case of contact with eyes, you need rinse immediately with plenty of water and seek medical advice. When using it, you should wear suitable protective clothing and suitable gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC(=C(C=C1)I)OC
(2)InChI: InChI=1S/C8H9IO2/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5H,1-2H3
(3)InChIKey: ZDUYJCKEORTAQE-UHFFFAOYSA-N