N-(2-AMINO-4-CHLOROPHENYL)ANTHRANILIC ACID

The CAS register number of Benzoicacid, 2-[(2-amino-4-chlorophenyl)amino]- is 67990-66-3. It also can be called as N-(2-Amino-4-chlorophenyl)anthranilic acid and the systematic name about this chemical is 2-[(2-amino-4-chlorophenyl)amino]benzoic acid. The molecular formula about this chemical is C₁₃H₁₁ClN₂O₂ and the molecular weight is 262.69. It belongs to the following product categories which include C₁₃ to C₄₂₊; Carbonyl Compounds; Carboxylic Acids and so on.

Physical properties about Benzoicacid, 2-[(2-amino-4-chlorophenyl)amino]- are: (1)ACD/LogP: 4.73; (2)ACD/LogD (pH 5.5): 2.92; (3)ACD/LogD (pH 7.4): 1.69; (4)ACD/BCF (pH 5.5): 35.58; (5)ACD/BCF (pH 7.4): 2.11; (6)ACD/KOC (pH 5.5): 137.05; (7)ACD/KOC (pH 7.4): 8.11; (8)#H bond acceptors: 4; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 32.78 Å²; (12)Index of Refraction: 1.716; (13)Molar Refractivity: 71.68 cm³; (14)Molar Volume: 182.2 cm³; (15)Polarizability: 28.41x10^-24cm³; (16)Surface Tension: 68.5 dyne/cm; (17)Density: 1.441 g/cm³; (18)Flash Point: 221.4 °C; (19)Enthalpy of Vaporization: 73.76 kJ/mol; (20)Boiling Point: 442.4 °C at 760 mmHg; (21)Vapour Pressure: 1.32E-08 mmHg at 25 °C.

Preparation: this chemical can be prepared by N-(4-chloro-2-nitrophenyl)anthranilic acid. This reaction will need reagent of DVP-Fe, conc. HCl and solvent of aq. ethanol, H₂O. This reaction needs heating. The yield is about 90%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. If you want to use this chemical, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc(c(Nc1ccccc1C(=O)O)cc2)N
(2)InChI: InChI=1/C13H11ClN2O2/c14-8-5-6-12(10(15)7-8)16-11-4-2-1-3-9(11)13(17)18/h1-7,16H,15H2,(H,17,18)
(3)InChIKey: HMVPMZFEYCGSTC-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C13H11ClN2O2/c14-8-5-6-12(10(15)7-8)16-11-4-2-1-3-9(11)13(17)18/h1-7,16H,15H2,(H,17,18)
(5)Std. InChIKey: HMVPMZFEYCGSTC-UHFFFAOYSA-N