2-Chloro-4,6-diphenyl-1,3,5-triazine

HCID 19698CAS 3842-55-5

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Grundinformationen

Standard-SMILES: Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIKey: DDGPPAMADXTGTN-UHFFFAOYSA-N
Summenformel: C15H10ClN3
Durchschnittliche Molmasse: 267,71 g/mol
Monoisotopische Masse: 267,056325

Namen und Bezeichner

Bevorzugter Name: 2-Chloro-4,6-diphenyl-1,3,5-triazine
IUPAC: 2-chloro-4,6-diphenyl-1,3,5-triazine
Englischer Name: 2-chloro-4,6-diphenyl-1,3,5-triazine
Summenformel: C15H10ClN3
Molmasse: 267.71

Namen und Synonyme

2-Chloro-4,6-diphenyl-1,3,5-triazine3842-55-51,3,5-Triazine, 2-chloro-4,6-diphenyl-DTXSID00274643RefChem:468795DTXCID60226108805-579-0InChI=1/C15H10ClN3/c16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h1-10MFCD05738885Diphenyl chloro-s-triazine4,6-diphenyl-2-chloro-s-triazineCITPTA

Weitere Namen anzeigen

SKL317PTZ-ClClTPTA2-chloro-4 6-diphenyl2-chloro-4,6-dipheyl-1,3,5-triazine2-Chloro-4,6-diphenyl-1,3,5-triazine >2-chloro-4,6-diphenyl-1,3,5-Chemicalbooktriazine

DS-1844SY0347082-chloro-4,6-bisphenyl-1,3,5-triazine2-chloro-[4,6-bisphenyl]-1,3,5-triazineNSC2316701,5-TriazSCHEMBL1069482-chloro4,6-diphenyl-s-triazine

Datenbank-Bezeichner

CAS: 3842-55-5
PubChem CID: 19698
DTXSID: DTXSID00274643
EC Number: 805-579-0
Nikkaji: J1.553.682I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,3
Polarare Oberfläche (TPSA): 38,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 19
Formalladung: 0
Komplexität: 249

Physikochemische Eigenschaften

Schmelzpunkt: 138 · 138-140℃
Siedepunkt: 485.1 · 485.1±28.0 °C(Predicted)
Dichte: 1.265 · 1.265±0.06 g/cm3(Predicted)
Brechungsindex: 1.57 · 1.57
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Soluble in toluene.
Aggregatzustand: powder to crystal
pka: -0.19 · -0.19±0.10(Predicted)
Farbe: White to Yellow to Orange
InChI: InChI=1S/C15H10ClN3/c16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h1-10H
InChIKey: DDGPPAMADXTGTN-UHFFFAOYSA-N
SMILES: N1=C(C2=CC=CC=C2)N=C(C2=CC=CC=C2)N=C1Cl
CAS Datenbank: 3842 · 3842-55-5

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

hs_code: 2933698090

Chemie und Industrie

Anwendungen · 2 Einträge

Beschreibung2-Chloro-4, 6-Diphenyl-1, 3, 5-Triazine is an OLED intermediate. It appears white powder at room temperature (20°C).

Verwenden2-chloro-4,6-diphenyl-1,3,5-triazine is an organic compound. Its main uses are: 1 It is used to prepare benzimidazole compounds and derivatives and organic electron transport materials. Organic light emitting diodes (OLEDs) have important applications in new electroluminescent displays and lighting. 2. It is used to prepare organic small molecule electron transport materials.