Name: 1-AZAXANTHONE
SKU: 6537-46-8

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Basic Information

Molecular Structure:
CAS No.:	6537-46-8
Name:	1-AZAXANTHONE
Article Data:	3

Formula:	C₁₂H₇NO₂
Molecular Weight:	197.193
Synonyms:	4-Azaxanthone;5-Oxo-5H-[1]benzopyrano[2,3-b]pyridine;9-Oxa-1-azaanthrone;1-Azaxanthone;
EINECS:	-0
Density:	1.342 g/cm³
Melting Point:	180-182 °C
Boiling Point:	380.6 °C at 760 mmHg
Flash Point:	184 °C
Appearance:	solid
PSA:	43.10000
LogP:	2.34120

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Specification

The 5H-[1]Benzopyrano[2,3-b]pyridin-5-one, with the CAS registry number 6537-46-8, is also known as 9-Oxa-1-aza-anthracen-10-one. This chemical's molecular formula is C₁₂H₇NO₂ and molecular weight is 197.19. Its IUPAC name is called chromeno[3,2-b]pyridin-10-one. This chemical is solid.

Physical properties of 5H-[1]Benzopyrano[2,3-b]pyridin-5-one: (1)ACD/LogP: 2.46; (2)ACD/LogD (pH 5.5): 2.46; (3)ACD/LogD (pH 7.4): 2.46; (4)ACD/BCF (pH 5.5): 43.26; (5)ACD/BCF (pH 7.4): 43.26; (6)ACD/KOC (pH 5.5): 516.09; (7)ACD/KOC (pH 7.4): 516.09; (8)#H bond acceptors: 3; (9)Index of Refraction: 1.651; (10)Molar Refractivity: 53.62 cm³; (11)Molar Volume: 146.8 cm³; (12)Surface Tension: 58.1 dyne/cm; (13)Density: 1.342 g/cm³; (14)Flash Point: 184 °C; (15)Enthalpy of Vaporization: 62.88 kJ/mol; (16)Boiling Point: 380.6 °C at 760 mmHg; (17)Vapour Pressure: 5.39E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-(2-chloropyridin-3-yl)-(2-methoxyphenyl)methanone. This reaction will need reagent pyridinium chloride. The reaction time is 20 min with reaction temperature of 220 °C. The yield is about 92%.

Uses of 5H-[1]Benzopyrano[2,3-b]pyridin-5-one: it can be used to produce 1,2,3,4-tetrahydro-chromeno[2,3-b]pyridin-5-one. This reaction will need reagent H₂ and solvent ethanol with reaction time of 4 hours. The yield is about 92%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C(=O)C3=C(O2)C=CC=N3
(2)InChI: InChI=1S/C12H7NO2/c14-12-8-4-1-2-5-9(8)15-10-6-3-7-13-11(10)12/h1-7H
(3)InChIKey: YAUODDQCNOBEDJ-UHFFFAOYSA-N