Name: 6-hydroxy-1H-quinolin-4-one
SKU: 3517-61-1

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Basic Information

Molecular Structure:
CAS No.:	3517-61-1
Name:	6-hydroxy-1H-quinolin-4-one
Article Data:	6

Formula:	C₉H₇NO₂
Molecular Weight:	161.16
Synonyms:	Quinoline-4,6-diol;
EINECS:	-0
Density:	1.337 g/cm³
Boiling Point:	361.6 °C at 760 mmHg
Flash Point:	172.5 °C
PSA:	53.35000
LogP:	1.64600

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Specification

The 4,6-Quinolinediol, with the CAS registry number of 3517-61-1, is also known as Quinoline-4,6-diol. This chemical's molecular formula is C₉H₇NO₂. What's more, its systematic name is 6-Hydroxyquinolin-4(1H)-one.

Physical properties about the 4,6-Quinolinediol are: (1)ACD/LogP: 1.84; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.51; (6)ACD/KOC (pH 7.4): 1.39; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 29.54 Å²; (11)Index of Refraction: 1.639; (12)Molar Refractivity: 43.39 cm³; (13)Molar Volume: 120.5 cm³; (14)Surface Tension: 55.3 dyne/cm; (15)Density: 1.337 g/cm³; (16)Flash Point: 172.5 °C; (17)Enthalpy of Vaporization: 63.14 kJ/mol; (18)Boiling Point: 361.6 °C at 760 mmHg; (19)Vapour Pressure: 9.85E-06 mmHg at 25 °C.

Preparation: this chemical is prepared by 5-[(4-Hydroxy-phenylamino)-methylene]-2,2-dimethyl-[1,3]dioxane-4,6-dione. The reaction needs solvent gas. The reaction time is 3 h with reaction temperature of 600 °C. The yield is about 57 %.

The 4,6-Quinolinediol can be obtained by 5-[(4-Hydroxy-phenylamino)-methylene]-2,2-dimethyl-[1,3]dioxane-4,6-dione

You can still convert the following datas into molecular structure:
(1) SMILES: O=C\2c1c(ccc(O)c1)N/C=C/2
(2) InChI: InChI=1/C9H7NO2/c11-6-1-2-8-7(5-6)9(12)3-4-10-8/h1-5,11H,(H,10,12)
(3) InChIKey: XFALURCRIGINGT-UHFFFAOYAC