Phenol,3-iodo- (626-02-8)

The IUPAC name of this product is 3-iodophenol. With the CAS registry number 626-02-8, it is also named as 3-Jodphenol; 4-06-00-01073 (Beilstein Handbook Reference); BRN 2039304; Phenol, 3-iodo-; m-Hydroxyiodobenzene. The product's categories are aromatic phenols, phenol & thiophenol & mercaptan, iodine compounds, organic building blocks and oxygen compounds. 

The 3-Iodophenol is yellow-beige to grey crystalline powder which is sensitive tolight. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable gloves and eye/face protection. 

The 3-Iodophenol can be obtained by 1-iodo-3-[(tert-butyldimethylsilyl)oxy]benzene with 37percent KF-Al2O3 (basic) in the acetonitrile. The reaction time is 10 min and the yield is 55%.

 The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.93; (4)ACD/LogD (pH 7.4): 2.92; (5)ACD/BCF (pH 5.5): 99.24; (6)ACD/BCF (pH 7.4): 97.38; (7)ACD/KOC (pH 5.5): 935.01; (8)ACD/KOC (pH 7.4): 917.43; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.669; (13)Molar Refractivity: 41.04 cm³; (14)Molar Volume: 109.9 cm³; (15)Polarizability: 16.27×10^-24 cm³; (16)Surface Tension: 53.9 dyne/cm; (17)Enthalpy of Vaporization: 53.26 kJ/mol; (18)Vapour Pressure: 0.00339 mmHg at 25°C; (19)Tautomer Count: 3; (20)Exact Mass: 219.938508; (21)MonoIsotopic Mass: 219.938508; (22)Topological Polar Surface Area: 20.2; (23)Heavy Atom Count: 8.

People can use the following data to convert to the molecule structure. SMILES: Ic1cccc(O)c1; InChI: InChI=1/C6H5IO/c7-5-2-1-3-6(8)4-5/h1-4,8H; InChIKey: FXTKWBZFNQHAAO-UHFFFAOYAT. 3-Iodophenol has many suppliers, such as Changzhou Finechemical Insititute and Hangzhou Yilong Chemical Industry Co., Ltd..

 The following is the toxicity data which has been tested.

The IUPAC name of this product is 3-iodophenol. With the CAS registry number 626-02-8, it is also named as 3-Jodphenol; 4-06-00-01073 (Beilstein Handbook Reference); BRN 2039304; Phenol, 3-iodo-; m-Hydroxyiodobenzene. The product's categories are aromatic phenols, phenol & thiophenol & mercaptan, iodine compounds, organic building blocks and oxygen compounds. 

The 3-Iodophenol is yellow-beige to grey crystalline powder which is sensitive tolight. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable gloves and eye/face protection. 

The 3-Iodophenol can be obtained by 1-iodo-3-[(tert-butyldimethylsilyl)oxy]benzene with 37percent KF-Al2O3 (basic) in the acetonitrile. The reaction time is 10 min and the yield is 55%.

 The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.93; (4)ACD/LogD (pH 7.4): 2.92; (5)ACD/BCF (pH 5.5): 99.24; (6)ACD/BCF (pH 7.4): 97.38; (7)ACD/KOC (pH 5.5): 935.01; (8)ACD/KOC (pH 7.4): 917.43; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.669; (13)Molar Refractivity: 41.04 cm³; (14)Molar Volume: 109.9 cm³; (15)Polarizability: 16.27×10^-24 cm³; (16)Surface Tension: 53.9 dyne/cm; (17)Enthalpy of Vaporization: 53.26 kJ/mol; (18)Vapour Pressure: 0.00339 mmHg at 25°C; (19)Tautomer Count: 3; (20)Exact Mass: 219.938508; (21)MonoIsotopic Mass: 219.938508; (22)Topological Polar Surface Area: 20.2; (23)Heavy Atom Count: 8.

People can use the following data to convert to the molecule structure. SMILES: Ic1cccc(O)c1; InChI: InChI=1/C6H5IO/c7-5-2-1-3-6(8)4-5/h1-4,8H; InChIKey: FXTKWBZFNQHAAO-UHFFFAOYAT. 3-Iodophenol has many suppliers, such as Changzhou Finechemical Insititute and Hangzhou Yilong Chemical Industry Co., Ltd..

 The following is the toxicity data which has been tested.