Ethyl 7-bromo-4-hydroxyquinoline-3-carboxylate supplier

Name
7-BROMO-4-OXO-1,4-DIHYDRO-QUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER
EINECS -0
CAS No. 179943-57-8
Article Data27
CAS DataBase
Density 1.594 g/cm³
Solubility
Melting Point 307-309 °C
Formula C₁₂H₁₀BrNO₃
Boiling Point 385.461 °C at 760 mmHg
Molecular Weight 296.12
Flash Point 186.92 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethyl7-bromo-4-hydroxyquinoline-3-carboxylate;
PSA 59.42000
LogP 2.87960

Ethyl 7-bromo-4-hydroxyquinoline-3-carboxylate Specification

The Ethyl 7-bromo-4-hydroxyquinoline-3-carboxylate is an organic compound with the formula C₁₂H₁₀BrNO₃. The IUPAC name of this chemical is ethyl 7-bromo-4-oxo-1H-quinoline-3-carboxylate. With the CAS registry number 179943-57-8, it is also named as 3-quinolinecarboxylic acid, 7-bromo-1,4-dihydro-4-oxo-, ethyl ester.

Physical properties about Ethyl 7-bromo-4-hydroxyquinoline-3-carboxylate are: (1)ACD/LogP: 3.36; (2)ACD/LogD (pH 5.5): 1.617; (3)ACD/LogD (pH 7.4): 1.373; (4)ACD/BCF (pH 5.5): 3.808; (5)ACD/BCF (pH 7.4): 2.174; (6)ACD/KOC (pH 5.5): 28.993; (7)ACD/KOC (pH 7.4): 16.555; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 59.42 Å²; (12)Index of Refraction: 1.655; (13)Molar Refractivity: 68.165 cm³; (14)Molar Volume: 185.787 cm³; (15)Polarizability: 27.023×10^-24cm³; (16)Surface Tension: 59.224 dyne/cm; (17)Density: 1.594 g/cm³; (18)Flash Point: 186.92 °C; (19)Enthalpy of Vaporization: 65.908 kJ/mol; (20)Boiling Point: 385.461 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c1cnc2cc(ccc2c1O)Br
(2)InChI: InChI=1/C12H10BrNO3/c1-2-17-12(16)9-6-14-10-5-7(13)3-4-8(10)11(9)15/h3-6H,2H2,1H3,(H,14,15)
(3)InChIKey: WJFBKTAITAHHAR-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C12H10BrNO3/c1-2-17-12(16)9-6-14-10-5-7(13)3-4-8(10)11(9)15/h3-6H,2H2,1H3,(H,14,15)
(5)Std. InChIKey: WJFBKTAITAHHAR-UHFFFAOYSA-N

Product Name

7-BROMO-4-OXO-1,4-DIHYDRO-QUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER

Ethyl 7-bromo-4-hydroxyquinoline-3-carboxylate Specification

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