Acridone

ACRIDONE · indenone · 9-Acridone · 9,10-DIHYDRO-9-OXOACRIDINE · ACRIDON · 9-ACRIDANONE · 9(10H)-ACRIDANONE · 10H-ACRIDIN-9-ONE

https://huagongshe.com/en/chemical/2015

Identifiers & Physical Properties

CAS No.	578-95-0
Molecular formula	C13H9NO
Average molar mass	195.22 g/mol
Monoisotopic mass	195.06841391 g/mol
SMILES	O=c1c2ccccc2[nH]c2ccccc12
InChIKey	FZEYVTFCMJSGMP-UHFFFAOYSA-N
PubChem CID	2015
ChEMBL	CHEMBL436589
ChEBI	CHEBI:50756
EC No.	209-434-7
DTXSID	DTXSID8060371

Chemical & Physical Properties

XLogP	3
Topological polar surface area	29.1
Hydrogen bond donors	1
Hydrogen bond acceptors	2
Rotatable bonds	0
Heavy atoms	15
Formal charge	0
Complexity	239
Chemical classes	Dyes -> Acridine Dyes
SpringerMaterials Properties	Angular frequency
Solubility	4.7 [ug/mL] (The mean of the results at pH 7.4)Chloroform (Slightly, Heated), DMSO (Slightly), Methanol (Slightly)Insoluble in benzene, chloroform, ether, water and ethanol.
Physical Description	Crystalline solid[Sigma-Aldrich MSDS]
Melting point	>300 °C (lit.)
Boiling point	331.88°C (rough estimate)
Density	1.1266 (rough estimate)
Refractive index	1.6060 (estimate)
Storage conditions	Sealed in dry,Room Temperature
Physical state	Crystalline Powder
pKa (acidity coefficient)	-0.30±0.30(Predicted)
Color	Yellow
λmax	380 nm399 nm (2nd)
BRN	7104
InChI	1S/C13H9NO/c15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13/h1-8H,(H,14,15)
InChIKey	FZEYVTFCMJSGMP-UHFFFAOYSA-N
SMILES	O=C1c2ccccc2Nc3ccccc13
CAS DataBase Reference	578-95-0(CAS DataBase Reference)
EWG's Food Scores	1
FDA UNII	6BK306GUQA
NIST Chemistry Reference	9,l0-Dihydro-9-oxoacridine(578-95-0)
EPA Substance Registry System	9(10H)-Acridinone (578-95-0)
UNSPSC Code	41116107
NACRES	NA.24
GHS pictogram	GHS07
Signal word	Warning
GHS hazard statements	H315-H319
GHS precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Personal protective equipment (PPE)	Eyeshields, Gloves, type N95 (US)
Hazard symbols	Xn
Risk statements (R)	36/37/38-22-40
Safety statements (S)	22-24/25-37/39-26-36
Water hazard class (WGK)	3
RTECS number	AR6976000
TSCA inventory status	TSCA listed
Customs code	29339900
Storage class	11 - Combustible Solids

Safety & Regulations

GHS classification	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazards summary	May cause irritation[Sigma-Aldrich MSDS] See Acridine.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Personal protective equipment (PPE)	Eyeshields, Gloves, type N95 (US)
Water hazard class (WGK)	3
TSCA inventory status	TSCA listed
RTECS number	AR6976000
Customs code	29339900
Risk statements (R)	36/37/38-22-40
Signal word	Warning
GHS pictogram	GHS07
Hazard symbols	Xn
Safety statements (S)	22-24/25-37/39-26-36
Storage class	11 - Combustible Solids
GHS hazard statements	H315-H319
GHS precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Applications & Uses

Uses

9(10H)-Acridone is used in the preparation of methyl 9,10-dihydro-9-oxoacridine-10-pentanoate, use for dyeing the organic materials.

Uses

9(10H)-Acridanone (acridone) was used in the preparation of methyl 9,10-dihydro-9-oxoacridine-10-pentanoate.

Uses

9(10H)-Acridone is a catabolic product of carbamazepine (C175840) metabolite and can be used as a fluorescent tag for antibody catalysis.