CAS 479-33-4 2,3,4,5-Tetraphenyl-2,4-cyclopentadien-1-one (HCID 68068)

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Grundinformationen

CAS: 479-33-4
Standard-SMILES: O=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIKey: PLGPSDNOLCVGSS-UHFFFAOYSA-N
Summenformel: C29H20O
Durchschnittliche Molmasse: 384,5 g/mol
Monoisotopische Masse: 384,15141526

Überblick

Tetraphenylcyclopentadienone is a stilbenoid.

Namen und Bezeichner

Bevorzugter Name: 2,3,4,5-Tetraphenyl-2,4-cyclopentadien-1-one
IUPAC: 2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one
Lokaler Name: Tetraphenylcyclopentadienon
Englischer Name: Tetraphenylcyclopentadienone
Summenformel: C29H20O
Molmasse: 384.47

Namen und Synonyme

Tetraphenylcyclopentadienone479-33-4TetracycloneTetracyclon2,4-Cyclopentadien-1-one, 2,3,4,5-tetraphenyl-Cyclone (compound)2,3,4,5-Tetraphenyl-2,4-cyclopentadien-1-oneE8CT23P8WPNSC-243761NSC-2060RefChem:897403207-530-3

Weitere Namen anzeigen

TCopentadienoneRARECHEM AM UF S096Guinea TNF-α ELISA KITTetraphenylcylcopentadienone

2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one2,3,4,5-Tetraphenylcyclopenta-2,4-dienoneCycloneTetraphenyl-2,4-cyclopentadien-1-oneMFCD000014072,3,4,5-Tetraphenylcyclopentadienonetetraphenylcyclopenta-2,4-dien-1-oneNSC 2060

Datenbank-Bezeichner

CAS: 479-33-4
PubChem CID: 68068
DTXSID: DTXSID1060059
ChEMBL: CHEMBL4534655
ChEBI: CHEBI:188913

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 6,4
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 4
Schwere Atome: 30
Formalladung: 0
Komplexität: 613

Experimentelle und physikochemische Eigenschaften

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Endocrine DisruptorsPotential endocrine disrupting compound

Physikochemische Eigenschaften

Schmelzpunkt: 217 · 217-220 °C (lit.)
Siedepunkt: 471.14 °C · 471.14°C (rough estimate)
Dichte: 1.0511 · 1.0511 (rough estimate)
Brechungsindex: 1.602 · 1.6020 (estimate)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: Fine Crystalline Powder
Farbe: Black
Wasserlöslichkeit: Soluble in Benzene. Insoluble in water.
BRN: 683115 · 683115
Stabilität: Stable. Combustible. Light sensitive.
InChI

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: 2,4-Cyclopentadien-1-one, 2,3,4,5-tetraphenyl-

2,4-Cyclopentadien-1-one, 2,3,4,5-tetraphenyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29143990
safety_code: 24/25-22
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information2,4-Cyclopentadien-1-one, 2,3,4,5-tetraphenyl-: ACTIVE

Anwendungen · 1 Eintrag

VerwendenTetraphenylcyclopentadienone is a building block for several organic and organometallic compounds. It is also used as an efficient cyclone system or in re-circulation systems for the capturing of fine active pharmaceuticals and food ingredients.