Benzoic acid,2-amino-3-(trifluoromethyl)- (313-12-2)

The 2-Amino-3-trifluoromethylbenzoic acid with cas registry number of 313-12-2 is also known as 3-(Trifluoromethyl)anthranilic acid. It is a kind of Carboxylic Acids; Phenyls & Phenyl-Het; Benzoic acid; Carboxylic Acids; Phenyls & Phenyl-Het; Benzoic acid series. Both its systematic name and IUPAC name are the same which is called 2-amino-3-(trifluoromethyl)benzoic acid.

The physical properties about this chemical are: (1)ACD/LogP: 3.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.78; (4)ACD/LogD (pH 7.4): 0.26; (5)ACD/BCF (pH 5.5): 6.17; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 51.62; (8)ACD/KOC (pH 7.4): 1.56; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.527; (13)Molar Refractivity: 42.39 cm³; (14)Molar Volume: 137.7 cm³; (15)Surface Tension: 42.8 dyne/cm; (16)Density: 1.489 g/cm³; (17)Flash Point: 133.3 °C; (18)Enthalpy of Vaporization: 56.67 kJ/mol; (19)Boiling Point: 296.9 °C at 760 mmHg; (20)Vapour Pressure: 0.000629 mmHg at 25°C.

Uses of 2-Amino-3-trifluoromethylbenzoic acid: it can react with chloroacetyl chloride to give 2-chloromethyl-8-trifluoromethyl-benzo[d][1,3]oxazin-4-one with 94 % yield.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. Therefore, wear suitable protective clothing during using it. 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: FC(F)(F)c1cccc(C(=O)O)c1N;
(2)InChI: InChI=1/C8H6F3NO2/c9-8(10,11)5-3-1-2-4(6(5)12)7(13)14/h1-3H,12H2,(H,13,14);
(3)InChIKey: UNLVJVQEDSDPIN-UHFFFAOYAC