CAS No.393-06-6,4-AMINO-2-TRIFLUOROMETHYLBENZOIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	393-06-6
Name:	4-AMINO-2-TRIFLUOROMETHYLBENZOIC ACID

Formula:	C₈H₆F₃NO₂
Molecular Weight:	205.136
Synonyms:	o-Toluicacid, 4-amino-a,a,a-trifluoro- (7CI,8CI);4-Amino-2-trifluoromethylbenzoic acid;4-amino-2-(trifluoromethyl)benzoic acid;Benzoic acid, 4-amino-2-(trifluoromethyl)-;
Density:	1.489 g/cm³
Melting Point:	183-186℃
Boiling Point:	318.8 °C at 760 mmHg
Flash Point:	146.6 °C
Hazard Symbols:	Xi
Risk Codes:	22
PSA:	63.32000
LogP:	2.56700

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Specification

The Benzoic acid,4-amino-2-(trifluoromethyl)-, with the CAS registry number 393-06-6, has the systematic name of 4-amino-2-(trifluoromethyl)benzoic acid. It belongs to the following product categories: Benzoic acid; Carboxylic Acids; Phenyls & Phenyl-Het. And the molecular formula of this chemical is C₈H₆F₃NO₂.

The physical properties of Benzoic acid,4-amino-2-(trifluoromethyl)- are as following: (1)ACD/LogP: 1.50; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 3.959; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 63.32 Å²; (11)Index of Refraction: 1.528; (12)Molar Refractivity: 42.399 cm³; (13)Molar Volume: 137.754 cm³; (14)Polarizability: 16.808×10^-24cm³; (15)Surface Tension: 42.849 dyne/cm; (16)Density: 1.489 g/cm³; (17)Flash Point: 146.622 °C; (18)Enthalpy of Vaporization: 59.159 kJ/mol; (19)Boiling Point: 318.828 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(c(cc1N)C(F)(F)F)C(=O)O
(2)InChI: InChI=1/C8H6F3NO2/c9-8(10,11)6-3-4(12)1-2-5(6)7(13)14/h1-3H,12H2,(H,13,14)
(3)InChIKey: AMVHEVZYTGHASE-UHFFFAOYAJ