Xanthen-9-on

Xanthone

HCID 7020CAS 90-47-1
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Grundinformationen

Standard-SMILES
O=c1c2ccccc2oc2ccccc12
InChIKey
JNELGWHKGNBSMD-UHFFFAOYSA-N
Summenformel
C13H8O2
Durchschnittliche Molmasse
196,2 g/mol
Monoisotopische Masse
196,0524295

Überblick

Xanthone is the parent compound of the xanthone class consisting of xanthene bearing a single oxo substituent at position 9. It has a role as an insecticide.

Namen und Bezeichner

Bevorzugter Name
Xanthone
IUPAC
xanthen-9-one
Lokaler Name
Xanthen-9-on
Englischer Name
Xanthone
Summenformel
C13H8O2
Molmasse
196.2

Namen und Synonyme

XANTHONE9H-Xanthen-9-one90-47-1Xanthen-9-one9-XanthenoneBenzophenone oxideXanthenone9-OxoxantheneGenicide9-XanthoneDiphenylene ketone oxideDibenzo-gamma-pyrone
Weitere Namen anzeigen
XantoneE 6Santhone
9H-Xanthene, 9-oxo-DTXSID60217959749WEV0CANSC-14978DTXCID201795CHEBI:37647RefChem:195149201-997-7

Datenbank-Bezeichner

CAS
90-47-1
PubChem CID
7020
DTXSID
DTXSID6021795
ChEMBL
CHEMBL186784
ChEBI
CHEBI:37647
UNII
9749WEV0CA
EC Number
201-997-7
Nikkaji
J4.319B

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,4
Polarare Oberfläche (TPSA)
26,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
0
Schwere Atome
15

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Other Aromatic Compounds
PolymersPolycyclic aromatic compound
SpringerMaterials PropertiesSchoenflies notation
LogP3.39
Vapor Pressure0.0000585 [mmHg]
Physical DescriptionSolid; [Merck Index] Off-white powder; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt
172 · 172-174 °C(lit.)
Siedepunkt
349 · 349-350 °C730 mm Hg(lit.)
Dichte
1.1607 · 1.1607 (rough estimate)
Brechungsindex
1.6 · 1.6000 (estimate)
Flammpunkt
350 · 350-351°C
storage temp.
Sealed in dry,Room Temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (97.6%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: 9H-Xanthen-9-one

9H-Xanthen-9-one: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryOral lethal-dose (rat) > 500 mg/kg; [RTECS] An irritant; [Alfa Aesar MSDS] See Fluorescein sodium and Thioxanthone.
Hazard Classes and CategoriesAcute Tox. 3 (97.6%)

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
UN 2811 6.1/PG 3
hs_code
29329990
RTECS-Nr.
ZD5711000
risk_code
22

Chemie und Industrie

Verwendung und Herstellung

UsesUsed to make xanthydrol and as an ovicide for codling moth eggs (less effective as larvicide); [Merck Index]
General Manufacturing Information9H-Xanthen-9-one: ACTIVE

Anwendungen

BeschreibungXanthone is a compound that has been shown to have a significant cytotoxicity against HL-60 cells and to inhibit the cyclase enzyme. It also inhibits the protein production of mcl-1, which is necessary for the development of cancer cells.

VerwendenXanthone is used predominantly as oxygenated polycyclic aromatic compounds, and as a vasorelaxant. It can be used as a fluorescent agent, as well as an intermediate in organic synthesis and chemical research.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: The parent compound of the xanthone class consisting of xanthene bearing a single oxo substituent at position 9.

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