Ethyl 4-chloro-8-fluoroquinoline-3-carboxylate supplier

Name
Ethyl 4-chloro-8-fluoroquinoline-3-carboxylate
EINECS
CAS No. 56824-90-9
Article Data4
CAS DataBase
Density 1.354 g/cm³
Solubility
Melting Point
Formula C₁₂H₉ClFNO₂
Boiling Point 332.1 °C at 760 mmHg
Molecular Weight 253.6568
Flash Point 154.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Quinolinecarboxylic acid, 4-chloro-8-fluoro-, ethyl ester;
PSA 39.19000
LogP 3.20400

Ethyl 4-chloro-8-fluoroquinoline-3-carboxylate Specification

The Ethyl 4-chloro-8-fluoroquinoline-3-carboxylate, with the CAS registry number 56824-90-9, is also known as 3-Quinolinecarboxylic acid, 4-chloro-8-fluoro-, ethyl ester. This chemical's molecular formula is C₁₂H₉ClFNO₂ and molecular weight is 253.6568. What's more, its systematic name is Ethyl 4-chloro-8-fluoroquinoline-3-carboxylate.

Physical properties about Ethyl 4-chloro-8-fluoroquinoline-3-carboxylate are: (1)ACD/LogP: 3.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.23; (4)ACD/LogD (pH 7.4): 3.23; (5)ACD/BCF (pH 5.5): 169.01; (6)ACD/BCF (pH 7.4): 169.01; (7)ACD/KOC (pH 5.5): 1368.8; (8)ACD/KOC (pH 7.4): 1368.8; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 39.19 Å²; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 63.48 cm³; (15)Molar Volume: 187.3 cm³; (16)Polarizability: 25.16×10^-24 cm³; (17)Surface Tension: 47.9 dyne/cm; (18)Density: 1.354 g/cm³; (19)Flash Point: 154.6 °C; (20)Enthalpy of Vaporization: 57.48 kJ/mol; (21)Boiling Point: 332.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00015 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cccc2c(Cl)c(cnc12)C(=O)OCC
(2) InChI: InChI=1/C12H9ClFNO2/c1-2-17-12(16)8-6-15-11-7(10(8)13)4-3-5-9(11)14/h3-6H,2H2,1H3
(3) InChIKey: RZBUGOGXQRAHCR-UHFFFAOYAK

Product Name

Ethyl 4-chloro-8-fluoroquinoline-3-carboxylate

Ethyl 4-chloro-8-fluoroquinoline-3-carboxylate Specification

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