3,6-Diphenylcarbazole

HCID 3123295

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Grundinformationen

CAS: 56525-79-2
Standard-SMILES: c1ccc(-c2ccc3[nH]c4ccc(-c5ccccc5)cc4c3c2)cc1
InChIKey: PCMKGEAHIZDRFL-UHFFFAOYSA-N
Summenformel: C24H17N
Durchschnittliche Molmasse: 319,4 g/mol
Monoisotopische Masse: 319,13609954

Namen und Bezeichner

Bevorzugter Name: 3,6-Diphenylcarbazole
IUPAC: 3,6-diphenyl-9H-carbazole
Englischer Name: 3,6-Diphenyl-9H-carbazole
Summenformel: C24H17N
Molmasse: 319.4

Namen und Synonyme

56525-79-23,6-diphenylcarbazoleRefChem:487626805-816-83,6-Diphenyl-9H-carbazoleMFCD002226199H-Carbazole, 3,6-diphenyl-3,6-Biphenyl-9H-carbazoleC24H17N3,6-diphenyl carbazoleOprea1_545753Oprea1_815242

Weitere Namen anzeigen

EFFA3,6-Diphenylcarbazole>,6-Diphenyl-9H-carbazole9H-Carbazole,3,6-diphenyl-3,6-DIPHENYL-9H-CARBAZOLE 99%https://www.chemicalbook.com/ProdSupplierGNCB11119047.htm

3,6-di-phenyl-9h-carbazoleSCHEMBL1496853,6-Diphenylcarbazole, 99%STK927806AKOS0023365246654-68-8SB66927AMY8728

Datenbank-Bezeichner

CAS: 56525-79-2、6654-68-8
PubChem CID: 3123295
DTXSID: DTXSID80985149
EC Number: 805-816-8
Nikkaji: J3.354.639D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 6,6
Polarare Oberfläche (TPSA): 15,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 2
Schwere Atome: 25
Formalladung: 0
Komplexität: 393

Physikochemische Eigenschaften

Schmelzpunkt: 186 ℃ · 186℃
Siedepunkt: 575 ℃ · 575℃
Dichte: 1.198 · 1.198
Flammpunkt: 256 ℃ · 256℃
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
pka: 16.82 · 16.82±0.30(Predicted)
Farbe: White to Almost white
InChI: InChI=1S/C24H17N/c1-3-7-17(8-4-1)19-11-13-23-21(15-19)22-16-20(12-14-24(22)25-23)18-9-5-2-6-10-18/h1-16,25H
InChIKey: PCMKGEAHIZDRFL-UHFFFAOYSA-N
SMILES: N1C2=C(C=C(C3=CC=CC=C3)C=C2)C2=C1C=CC(C1=CC=CC=C1)=C2
CAS Datenbank: 56525 · 56525-79-2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+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

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

Sicherheitsdaten

hs_code: 2933.99.8290

Chemie und Industrie

Anwendungen · 1 Eintrag

Beschreibung3,6-Diphenyl-9H-carbazole, also known as 3,6-Diphenylcarbazole (DPhCz), is another electron-donating 9H-carbazole derivative that has an extended π-π conjugation from the carbazole fusion ring to the phenyl group attached to the 3,-6 position. The degree of electron donating strength is in the order of carbazole 3,6-dimethylcarbazole 3,6-diphenylcarbazole, resulting in the relatively red-shift of emissions of 3,6-dimethylcarbazole and 3,6-diphenylcarbazole while comparing non-substituted carbazoles.