2-(Thiophen-2-yl)quinoline-4-carboxylic acid supplier

Name
2-THIOPHEN-2-YL-QUINOLINE-4-CARBOXYLIC ACID
EINECS
CAS No. 31792-47-9
Article Data13
CAS DataBase
Density 1.386 g/cm³
Solubility
Melting Point 211 °C(Solv: ethanol (64-17-5))
Formula C₁₄H₉NO₂S
Boiling Point 458.1 °C at 760 mmHg
Molecular Weight 255.297
Flash Point 230.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Cinchoninicacid, 2-(2-thienyl)- (8CI);2-(2-Thienyl)cinchoninic acid;2-(2-Thienyl)quinoline-4-carboxylic acid;4-Carboxy-2-(2'-thienyl)quinoline;2-(thiophen-2-yl)quinoline-4-carboxylic acid;2-(2-thienyl)quinoline-4-carboxylic acid;4-Quinolinecarboxylic acid, 2-(2-thienyl)-;
PSA 78.43000
LogP 3.66150

2-(Thiophen-2-yl)quinoline-4-carboxylic acid Specification

The 4-Quinolinecarboxylicacid, 2-(2-thienyl)-, with the CAS registry number 31792-47-9, has the systematic name of 2-(thiophen-2-yl)quinoline-4-carboxylic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₄H₉NO₂S.

The characteristics of 4-Quinolinecarboxylicacid, 2-(2-thienyl)- are as followings: (1)ACD/LogP: 3.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.9; (4)ACD/LogD (pH 7.4): 0.43; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.47; (8)ACD/KOC (pH 7.4): 1.51; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 67.43 Å²; (13)Index of Refraction: 1.712; (14)Molar Refractivity: 72.09 cm³; (15)Molar Volume: 184 cm³; (16)Polarizability: 28.57×10^-24cm³; (17)Surface Tension: 65.6 dyne/cm; (18)Density: 1.386 g/cm³; (19)Flash Point: 230.8 °C; (20)Enthalpy of Vaporization: 75.69 kJ/mol; (21)Boiling Point: 458.1 °C at 760 mmHg; (22)Vapour Pressure: 3.47E-09 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)c2cc(nc1ccccc12)c3sccc3
(2)InChI: InChI=1/C14H9NO2S/c16-14(17)10-8-12(13-6-3-7-18-13)15-11-5-2-1-4-9(10)11/h1-8H,(H,16,17)
(3)InChIKey: YDZHUFHFHQWQQB-UHFFFAOYAN

Product Name

2-THIOPHEN-2-YL-QUINOLINE-4-CARBOXYLIC ACID

2-(Thiophen-2-yl)quinoline-4-carboxylic acid Specification

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