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

Name
3-Amino-4-(trifluoromethyl)benzoic acid
EINECS
CAS No. 4857-33-4
Density 1.489 g/cm³
Solubility
Melting Point
Formula C₈H₆F₃NO₂
Boiling Point 325.4 °C at 760 mmHg
Molecular Weight 205.14
Flash Point 150.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-amino-4-(trifluoromethyl)-benzoic;
PSA 63.32000
LogP 2.56700

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

This chemical is called 3-Amino-4-(trifluoromethyl)benzoic acid, and it can also be named as benzoic acid, 3-amino-4-(trifluoromethyl)-. With the molecular formula of C₈H₆F₃NO₂, its molecular weight is 205.14. The CAS registry number of this chemical is 4857-33-4.

Other characteristics of the 3-Amino-4-(trifluoromethyl)benzoic acid can be summarised as followings: (1)ACD/LogP: 2.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.3; (4)ACD/LogD (pH 7.4): -0.1; (5)ACD/BCF (pH 5.5): 2.39; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 22.93; (8)ACD/KOC (pH 7.4): 1; (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: 150.6 °C; (20)Enthalpy of Vaporization: 59.91 kJ/mol; (21)Boiling Point: 325.4 °C at 760 mmHg; (22)Vapour Pressure: 9.41E-05 mmHg at 25°C.

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

Product Name

3-Amino-4-(trifluoromethyl)benzoic acid

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

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