2-Iodobenzoic acid

The IUPAC name of this product is 2-iodobenzoic acid. With the CAS registry number 88-67-5, it is also named as 4-27-00-07537 (Beilstein Handbook Reference); AI3-01811; BRN 1861406; Kyselina o-jodbenzoova; NSC 3772; USAF EK-572; 2-(Iodo-(125)I)-benzoic acid; Benzoic acid, 2-iodo-. The product's categories are aromatic carboxylic acids, amides, anilides, anhydrides & salts, benzoic acid, organic acids, API intermediates and carbonyl compounds.

The 2-Iodobenzoic acid is white crystal powder which is soluble in alcohol and ether, and sparingly soluble in water. It is stable and incompatible with strong oxidizing agents, strong bases. This product is ssed in organic synthesis or as analytical reagent. 2-Iodobenzoic acid should be preserve at a dry and dark well-ventilated place. And keep away from wet, fire and sunshine. To avoid decomposing, when opening the bag, keep away from any warm object.

The 2-Iodobenzoic acid is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. So people should not breathe dust and avoid contact with skin and eyes. 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: 2.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.36; (4)ACD/LogD (pH 7.4): -0.97; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.07; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.665; (13)Molar Refractivity: 46.08 cm³; (14)Molar Volume: 124 cm³; (15)Polarizability: 18.27×10^-24 cm³; (16)Surface Tension: 59.8 dyne/cm; (17)Enthalpy of Vaporization: 58.59 kJ/mol; (18)Vapour Pressure: 0.000205 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 247.933422; (21)MonoIsotopic Mass: 247.933422; (22)Topological Polar Surface Area: 37.3; (23)Heavy Atom Count: 10.

People can use the following data to convert to the molecule structure. SMILES: O=C(O)c1ccccc1I; InChI: InChI=1/C7H5IO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10); InChIKey: CJNZAXGUTKBIHP-UHFFFAOYAT. 2-Iodobenzoic acid has many suppliers, such as Chemik Co., Ltd., Beijing Sinowall Science & Technology Co., Ltd. and BenzChem Co., Ltd..

The following is the toxicity data which has been tested.