2-(4-Bromo-phenyl)-quinoline-4-carboxylic acid supplier

Name
2-(4-Bromo-phenyl)-quinoline-4-carboxylic acid
EINECS
CAS No. 103914-52-9
Article Data20
CAS DataBase
Density 1.556 g/cm³
Solubility
Melting Point
Formula C₁₆H₁₀BrNO₂
Boiling Point 497.7 °C at 760 mmHg
Molecular Weight 328.165
Flash Point 254.8 °C
Transport Information
Appearance
Safety
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms 2-(4-bromophenyl)quinoline-4-carboxylate;
PSA 50.19000
LogP 4.36250

2-(4-Bromo-phenyl)-quinoline-4-carboxylic acid Specification

The 2-(4-Bromo-phenyl)-quinoline-4-carboxylic acid is an organic compound with the formula C₁₆H₁₀BrNO₂. The IUPAC name of this chemical is 2-(4-bromophenyl)quinoline-4-carboxylic acid. With the CAS registry number 103914-52-9, it is also named as 4-Quinolinecarboxylic acid, 2-(4-bromophenyl)-.

Physical properties about 2-(4-Bromo-phenyl)-quinoline-4-carboxylic acid are: (1)ACD/LogP: 4.67; (2)ACD/LogD (pH 5.5): 2.19; (3)ACD/LogD (pH 7.4): 1.76; (4)ACD/BCF (pH 5.5): 6.07; (5)ACD/BCF (pH 7.4): 2.24; (6)ACD/KOC (pH 5.5): 21.51; (7)ACD/KOC (pH 7.4): 7.95; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 39.19 Å²; (12)Index of Refraction: 1.699; (13)Molar Refractivity: 81.39 cm³; (14)Molar Volume: 210.7 cm³; (15)Polarizability: 32.26×10^-24cm³; (16)Surface Tension: 61.9 dyne/cm; (17)Density: 1.556 g/cm³; (18)Flash Point: 254.8 °C; (19)Enthalpy of Vaporization: 80.63 kJ/mol; (20)Boiling Point: 497.7 °C at 760 mmHg; (21)Vapour Pressure: 1.01E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc3ccc(c1nc2ccccc2c(c1)C(=O)O)cc3
(2)InChI: InChI=1/C16H10BrNO2/c17-11-7-5-10(6-8-11)15-9-13(16(19)20)12-3-1-2-4-14(12)18-15/h1-9H,(H,19,20)
(3)InChIKey: JEUYPXDMAWIMOG-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C16H10BrNO2/c17-11-7-5-10(6-8-11)15-9-13(16(19)20)12-3-1-2-4-14(12)18-15/h1-9H,(H,19,20)
(5)Std. InChIKey: JEUYPXDMAWIMOG-UHFFFAOYSA-N

Product Name

2-(4-Bromo-phenyl)-quinoline-4-carboxylic acid

2-(4-Bromo-phenyl)-quinoline-4-carboxylic acid Specification

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