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60577-30-2

Basic Information
CAS No.: 60577-30-2
Name: 4-IODO-2-METHYLPHENOL
Article Data: 18
Molecular Structure:
Molecular Structure of 60577-30-2 (4-IODO-2-METHYLPHENOL)
Formula: C7H7IO
Molecular Weight: 234.036
Synonyms: 4-Iodo-2-cresol;4-Iodo-2-methylphenol;4-Iodo-o-cresol;
EINECS: 200-258-5
Density: 1.854 g/cm3
Melting Point: 67-68 °C
Boiling Point: 268.9 °C at 760 mmHg
Flash Point: 116.4 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-37/39
PSA: 20.23000
LogP: 2.30520
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Specification

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