2-(Trifluoromethyl)quinoline-4-carboxylic acid supplier

Name
2-(TRIFLUOROMETHYL)QUINOLINE-4-CARBOXYLIC ACID 97
EINECS
CAS No. 18706-39-3
Article Data6
CAS DataBase
Density 1.241 g/cm³
Solubility
Melting Point 181-182℃ (chloroform ethyl acetate )
Formula C₁₁H₆F₃NO₂
Boiling Point 323.732 °C at 760 mmHg
Molecular Weight 241.1674
Flash Point 149.588 °C
Transport Information
Appearance
Safety 24/25-36/37
Risk Codes 20/21/22
Molecular Structure
Hazard Symbols
Synonyms 2-(Trifluoromethyl)-4-quinolinecarboxylicacid;Cinchoninicacid, 2-(trifluoromethyl)- (8CI);2-Trifluoromethyl-4-carboxyquinoline;
PSA 50.19000
LogP 2.95180

2-(Trifluoromethyl)quinoline-4-carboxylic acid Specification

The 2-(Trifluoromethyl)quinoline-4-carboxylic acid, with the CAS registry number 18706-39-3, is also known as 4-Quinolinecarboxylic acid, 2-(trifluoromethyl)-. It belongs to the product categories of Carboxylic Acids; Quinolines, Isoquinolines & Quinoxalines; Carboxylic Acids; Quinolines, Isoquinolines & Quinoxalines. This chemical's molecular formula is C₁₁H₆F₃NO₂ and molecular weight is 241.166. Its systematic name is called 2-(trifluoromethyl)quinoline-4-carboxylic acid.

Physical properties of 2-(Trifluoromethyl)quinoline-4-carboxylic acid: (1)ACD/LogP: 2.21; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.579; (10)Molar Refractivity: 54.097 cm³; (11)Molar Volume: 162.813 cm³; (12)Surface Tension: 46.251 dyne/cm; (13)Density: 1.481 g/cm³; (14)Flash Point: 149.588 °C; (15)Enthalpy of Vaporization: 59.718 kJ/mol; (16)Boiling Point: 323.732 °C at 760 mmHg; (17)Vapour Pressure: 0 mmHg at 25°C.

Preparation: this chemical can be prepared by carbon dioxide and 2-trifluoromethyl-4-bromoquinoline. This reaction will need reagent butyllithium and solvent tetrahydrofuran, hexane. The reaction time is 40 min with reaction temperature of -75 °C. The yield is about 74%.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1nc2ccccc2c(c1)C(=O)O
(2)InChI: InChI=1/C11H6F3NO2/c12-11(13,14)9-5-7(10(16)17)6-3-1-2-4-8(6)15-9/h1-5H,(H,16,17)
(3)InChIKey: BHRSRGUVJGTOBA-UHFFFAOYAZ

Product Name

2-(TRIFLUOROMETHYL)QUINOLINE-4-CARBOXYLIC ACID 97

2-(Trifluoromethyl)quinoline-4-carboxylic acid Specification

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