6-Quinolinecarboxylicacid, 2-(trifluoromethyl)- supplier

Name
2-(trifluoromethyl)quinoline-6-carboxylic acid
EINECS
CAS No. 952182-51-3
Article Data2
CAS DataBase
Density 1.481 g/cm³
Solubility
Melting Point
Formula C₁₁H₆F₃NO₂
Boiling Point 329.5 °C at 760 mmHg
Molecular Weight 241.169
Flash Point 153.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(Trifluoromethyl)quinoline-6-carboxylicacid;
PSA 50.19000
LogP 2.95180

6-Quinolinecarboxylicacid, 2-(trifluoromethyl)- Specification

The 2-(Trifluoromethyl)quinoline-6-carboxylic acid, with the CAS registry number 952182-51-3, is also known as 6-Quinolinecarboxylic acid. It belongs to the product category of Chiral Chemicals. This chemical's molecular formula is C₁₁H₆F₃NO₂ and molecular weight is 241.166050. What's more, both its IUPAC name and systematic name are the same which is called 2-(Trifluoromethyl)quinoline-6-carboxylic acid.

Physical properties about 2-(Trifluoromethyl)quinoline-6-carboxylic acid are: (1)ACD/LogP: 2.33; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.44; (4)#H bond acceptors: 3; (5)#H bond donors: 1; (6)#Freely Rotating Bonds: 1; (7)Polar Surface Area: 50.19 Å²; (8)Index of Refraction: 1.578; (9)Molar Refractivity: 54.09 cm³; (10)Molar Volume: 162.8 cm³; (11)Polarizability: 21.44 × 10^-24cm³; (12)Surface Tension: 46.2 dyne/cm; (13)Density: 1.481 g/cm³; (14)Flash Point: 153.1 °C; (15)Enthalpy of Vaporization: 60.37 kJ/mol; (16)Boiling Point: 329.5°C at 760 mmHg; (17)Vapour Pressure: 7.12E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(nc2c1cc(cc2)C(=O)O)C(F)(F)F
(2) InChI:InChI=1/C11H6F3NO2/c12-11(13,14)9-4-2-6-5-7(10(16)17)1-3-8(6)15-9/h1-5H,(H,16,17)
(3) InChIKey: PDWMUXHPWPBHDJ-UHFFFAOYAL

Product Name

2-(trifluoromethyl)quinoline-6-carboxylic acid

6-Quinolinecarboxylicacid, 2-(trifluoromethyl)- Specification

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