2-BROMO-3-CHLORO-6-AMINO BENZOIC ACID

The CAS register number of Benzoicacid, 6-amino-2-bromo-3-chloro- is 65971-76-8. It also can be called as 6-Bromo-5-chloroanthranilic acid and the systematic name about this chemical is 6-amino-2-bromo-3-chlorobenzoic acid. The molecular formula about this chemical is C₇H₅BrClNO₂ and the molecular weight is 250.48.

Physical properties about Benzoicacid, 6-amino-2-bromo-3-chloro- are: (1)ACD/LogP: 3.56; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 3; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 63.32 Å²; (10)Index of Refraction: 1.68; (11)Molar Refractivity: 50.004 cm³; (12)Molar Volume: 132.379 cm³; (13)Polarizability: 19.823x10^-24cm³; (14)Surface Tension: 69.049 dyne/cm; (15)Density: 1.892 g/cm³; (16)Flash Point: 185.071 °C; (17)Enthalpy of Vaporization: 66.539 kJ/mol; (18)Boiling Point: 382.404 °C at 760 mmHg. 

Preparation: this chemical can be prepared by 4-bromo-5-chloro-indole-2,3-dione. This reaction will need reagent of 3 N aq. NaOH, 30percent H₂O₂. The reaction time is 1 hour with reaction temperature of 80 °C. The yield is about 78%.

Uses of Benzoicacid, 6-amino-2-bromo-3-chloro-: it can be used to produce 5-bromo-6-chloro-1H-benzo[d][1,3]oxazine-2,4-dione with carbonic acid bis-trichloromethyl ester. This reaction will need reagent of tetrahydrofuran. The reaction time is 12 hours. The yield is about 72%.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(N)c(C(=O)O)c1Br
(2)InChI: InChI=1/C7H5BrClNO2/c8-6-3(9)1-2-4(10)5(6)7(11)12/h1-2H,10H2,(H,11,12)
(3)InChIKey: PXHYZQUJCFJBRY-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C7H5BrClNO2/c8-6-3(9)1-2-4(10)5(6)7(11)12/h1-2H,10H2,(H,11,12)
(5)Std. InChIKey: PXHYZQUJCFJBRY-UHFFFAOYSA-N