2-Amino-4-(trifluoromethyl)benzoic acid supplier

Name
2-AMINO-4-(TRIFLUOROMETHYL)BENZOIC ACID
EINECS 206-937-3
CAS No. 402-13-1
Article Data26
CAS DataBase
Density 1.489 g/cm³
Solubility
Melting Point 175-176°C
Formula C₈H₆F₃NO₂
Boiling Point 296 °C at 760 mmHg
Molecular Weight 205.136
Flash Point 132.8 °C
Transport Information
Appearance Yellowish crystal
Safety 26-36/37/39
Risk Codes 36-36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms p-Toluicacid, 2-amino-a,a,a-trifluoro- (6CI,7CI,8CI);2-Amino-4-(trifluoromethyl)benzoic acid;4-Trifluoromethylanthranilic acid;
PSA 63.32000
LogP 2.56700

2-Amino-4-(trifluoromethyl)benzoic acid Specification

This chemical is called Benzoic acid, 2-amino-4-(trifluoromethyl)-, and it can also be named as 4-(Trifluoromethyl)anthranilic acid. With the molecular formula of C₈H₆F₃NO₂, its CAS registry number is 402-13-1. Additionally, its product categories are Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic Acid.

Other characteristics of the Benzoic acid, 2-amino-4-(trifluoromethyl)- can be summarised as followings: (1)ACD/LogP: 3.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.83; (4)ACD/LogD (pH 7.4): 0.36; (5)ACD/BCF (pH 5.5): 6.5; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 51; (8)ACD/KOC (pH 7.4): 1.7; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 42.39 cm³; (15)Molar Volume: 137.7 cm³; (16)Polarizability: 16.8×10^-24cm³; (17)Surface Tension: 42.8 dyne/cm; (18)Density: 1.489 g/cm³; (19)Flash Point: 132.8 °C; (20)Enthalpy of Vaporization: 56.58 kJ/mol; (21)Boiling Point: 296 °C at 760 mmHg; (22)Vapour Pressure: 0.000665 mmHg at 25°C.

Uses of this chemical: The could react with methanol, and obtain the 2-Amino-4-trifluormethyl-benzoesaeure-methylester. This reaction needs the reagent of conc. HCl. The yield is 98 %. In addition, this reaction should be taken for 12 hours. The other condition is heating.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c1ccc(cc1N)C(F)(F)F
2.InChI: InChI=1/C8H6F3NO2/c9-8(10,11)4-1-2-5(7(13)14)6(12)3-4/h1-3H,12H2,(H,13,14)
3.InChIKey: NQTLZJODEOHALT-UHFFFAOYAC

Product Name

2-AMINO-4-(TRIFLUOROMETHYL)BENZOIC ACID

2-Amino-4-(trifluoromethyl)benzoic acid Specification

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