Acridone

HCID 2015CAS 578-95-0
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Basic information

Standard SMILES
O=c1c2ccccc2[nH]c2ccccc12
InChIKey
FZEYVTFCMJSGMP-UHFFFAOYSA-N
Molecular formula
C13H9NO
Average molar mass
195.22 g/mol
Monoisotopic mass
195.06841391

Overview

Acridone is a member of the class of acridines that is 9,10-dihydroacridine substituted by an oxo group at position 9. It is a member of acridines and a cyclic ketone.

Names & identifiers

Preferred name
Acridone
IUPAC
10H-acridin-9-one
English name
9(10H)-ACRIDONE
Molecular formula
C13H9NO
Molecular weight
195.22

Names & synonyms

acridone578-95-09(10H)-Acridoneacridin-9(10H)-oneAcridanone9(10H)-ACRIDINONE10H-acridin-9-one6BK306GUQACHEBI:50756NSC-408196DTXSID80603719-Azaanthracen-10-one
Show more names
indenoneACRIDON10,10a-dihydroacridin-9(8aH)-one
RefChem:109401DTXCID8042264209-434-79-Acridone9(10H)-Acridanone9-AcridanoneAcridin-9-one9,10-Dihydro-9-oxoacridine

Database identifiers

CAS
578-95-0、643-62-9
PubChem CID
2015
DTXSID
DTXSID8060371
ChEMBL
CHEMBL436589
ChEBI
CHEBI:50756
UNII
6BK306GUQA
EC Number
209-434-7
Nikkaji
J1.702.427B、J1.738.871A、J66.880J

Properties

Computed structural properties

XLogP
3
Topological polar surface area
29.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
15

Experimental & physicochemical properties

Chemical ClassesDyes -> Acridine Dyes
SpringerMaterials PropertiesAngular frequency
Solubility4.7 [ug/mL] (The mean of the results at pH 7.4)
Physical DescriptionCrystalline solid; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point
300 °C · >300 °C (lit.)
Boiling point
331.88 °C · 331.88°C (rough estimate)
Density
1.1266 · 1.1266 (rough estimate)
refractive index
1.606 · 1.6060 (estimate)
storage temp.
Sealed in dry,Room Temperature
solubility
Chloroform (Slightly, Heated), DMSO (Slightly), Methanol (Slightly)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (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.

Hazard information

Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See Acridine.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
tsca
TSCA listed
rtecs
AR6976000
hs_code
29339900
risk_code
36/37/38-22-40

Chemistry & industry

Uses & manufacturing

General Manufacturing Information9(10H)-Acridinone: ACTIVE
Applications · 3 items

Uses9(10H)-Acridone is used in the preparation of methyl 9,10-dihydro-9-oxoacridine-10-pentanoate, use for dyeing the organic materials.

Uses9(10H)-Acridanone (acridone) was used in the preparation of methyl 9,10-dihydro-9-oxoacridine-10-pentanoate.

Uses9(10H)-Acridone is a catabolic product of carbamazepine (C175840) metabolite and can be used as a fluorescent tag for antibody catalysis.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

Additional notes

DefinitionChEBI: A member of the class of acridines that is 9,10-dihydroacridine substituted by an oxo group at position 9.

Related reactions

24 records
New reaction record

Linked notes

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