3-(Trifluoromethyl)pyridine-2-carboxylic acid supplier

Name
3-(Trifluoromethyl)pyridine-2-carboxylic acid
EINECS
CAS No. 87407-12-3
Article Data2
CAS DataBase
Density 1.484 g/cm³
Solubility
Melting Point 125-130°C
Formula C₇H₄F₃NO₂
Boiling Point 274.4 °C at 760 mmHg
Molecular Weight 191.109
Flash Point 119.7 °C
Transport Information
Appearance
Safety 26-45
Risk Codes 25-36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 3-(Trifluoromethyl)-2-picolinicacid;
PSA 50.19000
LogP 1.79860

3-(Trifluoromethyl)pyridine-2-carboxylic acid Specification

The systematic name of 3-(Trifluoromethyl)pyridine-2-carboxylic acid is 3-(trifluoromethyl)pyridine-2-carboxylic acid. With the CAS registry number 87407-12-3, it is also named as 2-Pyridinecarboxylicacid, 3-(trifluoromethyl)-. The product's categories are Acids and Derivatives; Heterocycles; Carboxylic Acids; Pyridines; Carboxylic Acids. In addition, its molecular formula is C₇H₄F₃NO₂ and molecular weight is 191.11.

The other characteristics of 3-(Trifluoromethyl)pyridine-2-carboxylic acid can be summarized as: (1)ACD/LogP: 1.27; (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; (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: 119.7 °C; (18)Enthalpy of Vaporization: 54.16 kJ/mol; (19)Boiling Point: 274.4 °C at 760 mmHg; (20)Vapour Pressure: 0.00264 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)c1ncccc1C(F)(F)F
(2)InChI: InChI=1/C7H4F3NO2/c8-7(9,10)4-2-1-3-11-5(4)6(12)13/h1-3H,(H,12,13)
(3)InChIKey: DMWLBOPLZYJGPT-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C7H4F3NO2/c8-7(9,10)4-2-1-3-11-5(4)6(12)13/h1-3H,(H,12,13)
(5)Std. InChIKey: DMWLBOPLZYJGPT-UHFFFAOYSA-N

Product Name

3-(Trifluoromethyl)pyridine-2-carboxylic acid

3-(Trifluoromethyl)pyridine-2-carboxylic acid Specification

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