4-Iodobenzoic acid (619-58-9)

The IUPAC name of this product is 4-iodobenzoic acid. With the CAS registry number 619-58-9, it is also named as 4-27-00-07537 (Beilstein Handbook Reference); 4-Jodbenzoesaeure; BRN 1860232; NSC 3773; p-Iodobenzenecarboxylic acid; Benzoic acid, 4-iodo-. The product's categories are aromatic carboxylic acids, benzoic acid, organic acids, API intermediates, acids & esters, iodine compounds, carbonyl compounds and carboxylic acids.

The p-Iodobenzoic Acid is white to off-white powder which is soluble in water, alcohol and ether, insoluble in cold water. It is stable under normal temperatures and pressures. It is also incompatibilities with strong oxidizing agents, strong bases. This chemical can be used in organic synthesis. For example: It can react with thiocyanatomethane to get 4-Jod-thiobenzoesaeure-methylester.

The p-Iodobenzoic Acid 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 protective clothing and eye/face protection. 

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.07; (4)ACD/BCF (pH 5.5): 3.82; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 34.42; (7)ACD/KOC (pH 7.4): 1.18; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.665; (12)Molar Refractivity: 46.08 cm³; (13)Molar Volume: 124 cm³; (14)Polarizability: 18.27×10^-24 cm³; (15)Surface Tension: 59.8 dyne/cm; (16)Enthalpy of Vaporization: 59.12 kJ/mol; (17)Vapour Pressure: 0.00015 mmHg at 25°C; (18)Rotatable Bond Count: 1; (19)Exact Mass: 247.933422; (20)MonoIsotopic Mass: 247.933422; (21)Topological Polar Surface Area: 37.3; (22)Heavy Atom Count: 10.

People can use the following data to convert to the molecule structure. SMILES: O=C(O)c1ccc(I)cc1; InChI: InChI=1/C7H5IO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10); InChIKey: GHICCUXQJBDNRN-UHFFFAOYAH. p-Iodobenzoic Acid has many suppliers, such as BenzChem Co., Ltd., Changzhou Haode Chemical Co., Ltd., and Changzhou Xixialong International Co., Ltd.. 

The following is the toxicity data which has been tested. 

The IUPAC name of this product is 4-iodobenzoic acid. With the CAS registry number 619-58-9, it is also named as 4-27-00-07537 (Beilstein Handbook Reference); 4-Jodbenzoesaeure; BRN 1860232; NSC 3773; p-Iodobenzenecarboxylic acid; Benzoic acid, 4-iodo-. The product's categories are aromatic carboxylic acids, benzoic acid, organic acids, API intermediates, acids & esters, iodine compounds, carbonyl compounds and carboxylic acids.

The p-Iodobenzoic Acid is white to off-white powder which is soluble in water, alcohol and ether, insoluble in cold water. It is stable under normal temperatures and pressures. It is also incompatibilities with strong oxidizing agents, strong bases. This chemical can be used in organic synthesis. For example: It can react with thiocyanatomethane to get 4-Jod-thiobenzoesaeure-methylester.

The p-Iodobenzoic Acid 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 protective clothing and eye/face protection. 

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.07; (4)ACD/BCF (pH 5.5): 3.82; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 34.42; (7)ACD/KOC (pH 7.4): 1.18; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.665; (12)Molar Refractivity: 46.08 cm³; (13)Molar Volume: 124 cm³; (14)Polarizability: 18.27×10^-24 cm³; (15)Surface Tension: 59.8 dyne/cm; (16)Enthalpy of Vaporization: 59.12 kJ/mol; (17)Vapour Pressure: 0.00015 mmHg at 25°C; (18)Rotatable Bond Count: 1; (19)Exact Mass: 247.933422; (20)MonoIsotopic Mass: 247.933422; (21)Topological Polar Surface Area: 37.3; (22)Heavy Atom Count: 10.

People can use the following data to convert to the molecule structure. SMILES: O=C(O)c1ccc(I)cc1; InChI: InChI=1/C7H5IO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10); InChIKey: GHICCUXQJBDNRN-UHFFFAOYAH. p-Iodobenzoic Acid has many suppliers, such as BenzChem Co., Ltd., Changzhou Haode Chemical Co., Ltd., and Changzhou Xixialong International Co., Ltd.. 

The following is the toxicity data which has been tested.