9-Acridon

Acridone

HCID 2015CAS 578-95-0

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Grundinformationen

Standard-SMILES: O=c1c2ccccc2[nH]c2ccccc12
InChIKey: FZEYVTFCMJSGMP-UHFFFAOYSA-N
Summenformel: C13H9NO
Durchschnittliche Molmasse: 195,22 g/mol
Monoisotopische Masse: 195,06841391

Überblick

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.

Namen und Bezeichner

Bevorzugter Name: Acridone
IUPAC: 10H-acridin-9-one
Lokaler Name: 9-Acridon
Englischer Name: 9(10H)-ACRIDONE
Summenformel: C13H9NO
Molmasse: 195.22

Namen und Synonyme

acridone578-95-09(10H)-Acridoneacridin-9(10H)-oneAcridanone9(10H)-ACRIDINONE10H-acridin-9-one6BK306GUQACHEBI:50756NSC-408196DTXSID80603719-Azaanthracen-10-one

Weitere Namen anzeigen

indenoneACRIDON10,10a-dihydroacridin-9(8aH)-one

RefChem:109401DTXCID8042264209-434-79-Acridone9(10H)-Acridanone9-AcridanoneAcridin-9-one9,10-Dihydro-9-oxoacridine

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3
Polarare Oberfläche (TPSA): 29,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 15
Formalladung: 0
Komplexität: 239

Experimentelle und physikochemische Eigenschaften

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]

Physikochemische Eigenschaften

Schmelzpunkt: 300 °C · >300 °C (lit.)
Siedepunkt: 331.88 °C · 331.88°C (rough estimate)
Dichte: 1.1266 · 1.1266 (rough estimate)
Brechungsindex: 1.606 · 1.6060 (estimate)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly, Heated), DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Crystalline Powder
pka: -0.3 · -0.30±0.30(Predicted)
Farbe: Yellow
Wasserlöslichkeit: Insoluble in benzene, chloroform, ether, water and ethanol.
BRN: 7104 · 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 Datenbank: 578 · 578-95-0(CAS DataBase Reference)
NIST chemische Informationen: 9 · 9,l0-Dihydro-9-oxoacridine(578-95-0)
EPA chemische Informationen: 9 · 9(10H)-Acridinone (578-95-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See Acridine.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29339900
RTECS-Nr.: AR6976000
risk_code: 36/37/38-22-40
hazard_code: Xn
safety_code: 22-24/25-37/39-26-36
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information9(10H)-Acridinone: ACTIVE

Anwendungen

Verwenden9(10H)-Acridone is a catabolic product of carbamazepine (C175840) metabolite and can be used as a fluorescent tag for antibody catalysis.