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CAS No.: | 29558-78-9 |
---|---|
Name: | 4-HYDROXY-4'-IODOBIPHENYL |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C12H9IO |
Molecular Weight: | 296.107 |
Synonyms: | 4-Biphenylol,4'-iodo- (8CI);4'-Iodo-1,1'-biphenyl-4-ol;4'-Iodo-4-biphenylol; |
Density: | 1.689 g/cm3 |
Melting Point: | 117-119 °C |
Boiling Point: | 367.1 °C at 760 mmHg |
Flash Point: | 175.8 °C |
Hazard Symbols: | Xi |
Risk Codes: | 20/21-36/37/38-65 |
Safety: | 26-36/37/39-37 |
PSA: | 20.23000 |
LogP: | 3.66380 |
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The [1,1'-Biphenyl]-4-ol,4'-iodo-, with the CAS registry number 2956-58-3, is also known as 4-(4-Iodophenyl)phenol. It belongs to the product categories of Aromatic Phenols; Biphenyl Derivatives; Biphenyl & Diphenyl ether. This chemical's molecular formula is C12H9IO and molecular weight is 296.1. Its systematic name is called 4'-iodobiphenyl-4-ol.
Physical properties of [1,1'-Biphenyl]-4-ol,4'-iodo-: (1)ACD/LogP: 4.40; (2)ACD/LogD (pH 5.5): 4.4; (3)ACD/LogD (pH 7.4): 4.4; (4)ACD/BCF (pH 5.5): 1301.71; (5)ACD/BCF (pH 7.4): 1294.6; (6)ACD/KOC (pH 5.5): 5901.45; (7)ACD/KOC (pH 7.4): 5869.22; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.672; (12)Molar Refractivity: 65.63 cm3; (13)Molar Volume: 175.2 cm3; (14)Surface Tension: 52.3 dyne/cm; (15)Density: 1.689 g/cm3; (16)Flash Point: 175.8 °C; (17)Enthalpy of Vaporization: 63.77 kJ/mol; (18)Boiling Point: 367.1 °C at 760 mmHg; (19)Vapour Pressure: 6.64E-06 mmHg at 25°C.
Uses of [1,1'-Biphenyl]-4-ol,4'-iodo-: it can be used to produce 4-iodo-4'-butoxybiphenyl by heating. This reaction will need reagent NaOH and solvent acetone with reaction time of 4 hours. The yield is about 81.6%.
When you are using this chemical, please be cautious about it as the following:
Chemicals that may cause inflammation to the skin or other mucous membranes. Harmful by inhalation, in contact with skin and if swallowed. Irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: Ic1ccc(cc1)c2ccc(O)cc2
(2)InChI: InChI=1/C12H9IO/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,14H
(3)InChIKey: WJXIAMCDWSUSEI-UHFFFAOYAY