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2-Amino-3-trifluoromethylbenzoic acid

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Name

2-Amino-3-trifluoromethylbenzoic acid

EINECS 625-821-7
CAS No. 313-12-2 Density 1.489 g/cm3
PSA 63.32000 LogP 2.56700
Solubility N/A Melting Point 157-160 °C(lit.)
Formula C8H6F3NO2 Boiling Point 296.9 °C at 760 mmHg
Molecular Weight 205.136 Flash Point 133.3 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 313-12-2 (2-AMINO-3-(TRIFLUOROMETHYL)BENZOIC ACID) Hazard Symbols IrritantXi
Synonyms

m-Toluicacid, 2-amino-a,a,a-trifluoro- (6CI,8CI);2-Amino-3-(trifluoromethyl)benzoic acid;3-(a,a,a-Trifluoromethyl)anthranilicacid;3-Trifluoromethylanthranilic acid;

Article Data 4

2-Amino-3-trifluoromethylbenzoic acid Specification

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

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