CAS No.35966-16-6,8-Chloro-4-hydroxyquinoline-3-carboxylic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	35966-16-6
Name:	8-Chloro-4-hydroxyquinoline-3-carboxylic acid

Formula:	C₁₀H₆ClNO₃
Molecular Weight:	223.616
Synonyms:	8-Chloro-4-hydroxy-3-quinolinecarboxylicacid;NSC 113493;
EINECS:	-0
Density:	1.549 g/cm³
Boiling Point:	393 °C at 760 mmHg
Flash Point:	191.5 °C
Hazard Symbols:	Xi
Risk Codes:	36
Safety:	26
PSA:	70.42000
LogP:	2.29200

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Specification

The 8-Chloro-4-hydroxyquinoline-3-carboxylic acid, with the CAS registry number 35966-16-6, is also known as 8-Chloro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid. This chemical's molecular formula is C₁₀H₆ClNO₃ and molecular weight is 223.61. What's more, its IUPAC name is called 8-Chloro-4-oxo-1H-quinoline-3-carboxylic acid.

Physical properties about 8-Chloro-4-hydroxyquinoline-3-carboxylic acid are: (1)ACD/LogP: 2.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.33; (4)ACD/LogD (pH 7.4): 0.02; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.48; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.648; (14)Molar Refractivity: 52.5 cm³; (15)Molar Volume: 144.2 cm³; (16)Surface Tension: 64.7 dyne/cm; (17)Density: 1.549 g/cm³; (18)Flash Point: 191.5 °C; (19)Enthalpy of Vaporization: 67.8 kJ/mol; (20)Boiling Point: 393 °C at 760 mmHg; (21)Vapour Pressure: 7E-07 mmHg at 25 °C.

Preparation of 8-Chloro-4-hydroxyquinoline-3-carboxylic acid: this chemical can be prepared by 8-Chloro-4-hydroxy-quinoline-3-carboxylic acid ethyl ester. This reaction needs reagent aqueous KOH. The yield is 94 %.

8-Chloro-4-hydroxyquinoline-3-carboxylic acid can be prepared by 8-Chloro-4-hydroxy-quinoline-3-carboxylic acid ethyl ester.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cccc2c1N/C=C(\C2=O)C(=O)O
(2) InChI: InChI=1/C10H6ClNO3/c11-7-3-1-2-5-8(7)12-4-6(9(5)13)10(14)15/h1-4H,(H,12,13)(H,14,15)
(3) InChIKey: MQDCOKGAQYWIDE-UHFFFAOYAJ