4-CHLORO-2-IODOANISOLE

The Benzene,4-chloro-2-iodo-1-methoxy-, with the CAS registry number 52807-27-9, is also known as 4-Chloro-2-iodoanisole. It belongs to the product categories of Miscellaneous; Anisoles, Alkyloxy Compounds & Phenylacetates; Chlorine Compounds; Iodine Compounds; Benzenes. This chemical's molecular formula is C₇H₆ClIO and formula weight is 268.48. What's more, its IUPAC name is 4-chloro-2-iodo-1-methoxybenzene.

Physical properties of Benzene,4-chloro-2-iodo-1-methoxy- are: (1)ACD/LogP: 3.51; (2)ACD/BCF (pH 5.5): 273.34; (3)ACD/KOC (pH 5.5): 1931.08; (4)#H bond acceptors: 1; (5)#H bond donors: 0; (6)#Freely Rotating Bonds: 1; (7)Polar Surface Area: 9.23 Å²; (8)Index of Refraction: 1.604; (9)Molar Refractivity: 50.73 cm³; (10)Molar Volume: 147.4 cm³; (11)Surface Tension: 42 dyne/cm; (12)Density: 1.82 g/cm³; (13)Flash Point: 117.7 °C; (14)Enthalpy of Vaporization: 48.87 kJ/mol; (15)Boiling Point: 271 °C at 760 mmHg; (16)Vapour Pressure: 0.011 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-chloro-4-methoxy-benzene at the temperature of 22°C. This reaction will need reagent I₂, 1-chloromethyl-4-fluoro-1,4-diazoniabicyclo<2.2.2>octane bis(tetrafluoroborate) and solvent acetonitrile with the reaction time of 24 hours. The yield is about 89%.

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

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=C(C=C(C=C1)Cl)I
(2)InChI: InChI=1S/C7H6ClIO/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3
(3)InChIKey: CXXXAGIYCFOGHA-UHFFFAOYSA-N