4-IODO-2-METHYLPHENOL

The Phenol,4-iodo-2-methyl-, with the CAS registry number 60577-30-2, is also known as 2-Methyl-4-Iodophenol. It belongs to the product category of Aromatic Halides (Substituted). This chemical's molecular formula is C₇H₇IO and molecular weight is 234.03. What's more, both its IUPAC name and systematic name are the same which is called 4-Iodo-2-methylphenol. It is should be kept in a cold, airtight and dry place.

Physical properties about Phenol,4-iodo-2-methyl- are: (1) ACD/LogP: 3.37; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.37; (4) ACD/LogD (pH 7.4): 3.37; (5) ACD/BCF (pH 5.5): 214.4; (6) ACD/BCF (pH 7.4): 213.35; (7) ACD/KOC (pH 5.5): 1622.91; (8) ACD/KOC (pH 7.4): 1614.93; (9)#H bond acceptors: 1; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 9.23 Å²; (13) Index of Refraction: 1.646; (14) Molar Refractivity: 45.86 cm³; (15) Molar Volume: 126.2 cm³; (16) Surface Tension: 49.9 dyne/cm; (17) Density: 1.854 g/cm³; (18) Flash Point: 116.4 °C; (19) Enthalpy of Vaporization: 52.74 kJ/mol; (20) Boiling Point: 268.9 °C at 760 mmHg; (21) Vapour Pressure: 0.00452 mmHg at 25 °C; (22) Melting Point: 67-68 °C.

Preparation of Phenol,4-iodo-2-methyl-: this chemical can be prepared by 2-Methyl-phenol with 2,4-Diiodo-6-methyl-phenol. This reaction needs reagents NaI, Chloramine T and solvent Dimethylformamide at temperature of 25 °C. The reaction time is 1 hour. The yield is 76 %.

Uses of Phenol,4-iodo-2-methyl-: it is used to produce other chemicals. For example, it is used to produce 1-Dodecyloxy-4-iodo-2-methyl-benzene. The reaction occurs with reagents K₂CO₃, Bu₄NI and solvent Acetonitrile at temperature of 100 °C. The yield is 85 %.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Ic1ccc(O)c(c1)C
(2) InChI: InChI=1/C7H7IO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3
(3) InChIKey: WSBDSSKIWDFOBQ-UHFFFAOYAQ