2-(Trifluoromethyl)isonicotinic acid supplier

Name
2-(Trifluoromethyl)isonicotinic acid
EINECS
CAS No. 131747-41-6
Article Data6
CAS DataBase
Density 1.485 g/cm³
Solubility Slightly soluble in water.
Melting Point 217-223℃
Formula C₇H₄F₃NO₂
Boiling Point 338.881 °C at 760 mmHg
Molecular Weight 191.109
Flash Point 158.75 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 22-36/37/38
Molecular Structure
Hazard Symbols Xn
Synonyms 2-Trifluoromethyl-isonicotinic acid;4-pyridinecarboxylic acid, 2-(trifluoromethyl)-;
PSA 50.19000
LogP 1.79860

2-(Trifluoromethyl)isonicotinic acid Specification

The 2-(Trifluoromethyl)isonicotinic acid, with the CAS registry number 131747-41-6, has the systematic name of 2-(trifluoromethyl)pyridine-4-carboxylic acid. It belongs to the following procuct categories: Pyridine series; Carboxylic Acids; Pyridines; Carboxylic Acids. And the molecular formula of this chemical is C₇H₄F₃NO₂.

The physical properties of 2-(Trifluoromethyl)isonicotinic acid are as followings: (1)ACD/LogP: 2.00; (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): 1.03; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 50.19 Å²; (11)Index of Refraction: 1.475; (12)Molar Refractivity: 36.25 cm³; (13)Molar Volume: 128.6 cm³; (14)Polarizability: 14.37×10^-24cm³; (15)Surface Tension: 38.5 dyne/cm; (16)Density: 1.484 g/cm³; (17)Flash Point: 158.8 °C; (18)Enthalpy of Vaporization: 61.46 kJ/mol; (19)Boiling Point: 338.9 °C at 760 mmHg; (20)Vapour Pressure: 3.71E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc(ccn1)C(O)=O
(2)InChI: InChI=1/C7H4F3NO2/c8-7(9,10)5-3-4(6(12)13)1-2-11-5/h1-3H,(H,12,13)
(3)InChIKey: BZFGKBQHQJVAHS-UHFFFAOYAR

Product Name

2-(Trifluoromethyl)isonicotinic acid

2-(Trifluoromethyl)isonicotinic acid Specification

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