METHYL 2-AMINO-5-CHLORO-3-IODOBENZOATE

The Benzoic acid,2-amino-5-chloro-3-iodo-, methyl ester, with the CAS registry number 289039-84-5, is also known as Methyl 2-amino-5-chloro-3-iodobenzoate. It belongs to the product categories of Aromatic Esters; Benzoic acid; Acids & Esters; Anilines, Amides & Amines; Chlorine Compounds; Iodine Compounds; C8 to C9; Carbonyl Compounds; Esters. This chemical's molecular formula is C₈H₇ClINO₂ and molecular weight is 311.5042. Its systematic name is called methyl 2-amino-5-chloro-3-iodobenzoate.

Physical properties of Benzoic acid,2-amino-5-chloro-3-iodo-, methyl ester: (1)ACD/LogP: 3.90; (2)ACD/LogD (pH 5.5): 3.9; (3)ACD/LogD (pH 7.4): 3.9; (4)ACD/BCF (pH 5.5): 542.54; (5)ACD/BCF (pH 7.4): 542.54; (6)ACD/KOC (pH 5.5): 3154.33; (7)ACD/KOC (pH 7.4): 3154.33; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.655; (12)Molar Refractivity: 60.06 cm³; (13)Molar Volume: 163.6 cm³; (14)Surface Tension: 56.9 dyne/cm; (15)Density: 1.903 g/cm³; (16)Flash Point: 171.9 °C; (17)Enthalpy of Vaporization: 60.64 kJ/mol; (18)Boiling Point: 360.6 °C at 760 mmHg; (19)Vapour Pressure: 2.19E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical that at low levels cause damage to health. Besides, it may cause inflammation to the skin or other mucous membranes. It is toxic if swallowed. Whenever you will contact it, please wear suitable protective clothing and gloves. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1c(N)c(cc(Cl)c1)C(=O)OC
(2)InChI: InChI=1/C8H7ClINO2/c1-13-8(12)5-2-4(9)3-6(10)7(5)11/h2-3H,11H2,1H3
(3)InChIKey: VTDNWMZYPVQPCN-UHFFFAOYAO