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

HCID 19698

Notes Reactions

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Basic information

CAS: 3842-55-5
Standard SMILES: Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIKey: DDGPPAMADXTGTN-UHFFFAOYSA-N
Molecular formula: C15H10ClN3
Average molar mass: 267.71 g/mol
Monoisotopic mass: 267.056325

Names & identifiers

Preferred name: 2-Chloro-4,6-diphenyl-1,3,5-triazine
IUPAC: 2-chloro-4,6-diphenyl-1,3,5-triazine
English name: 2-chloro-4,6-diphenyl-1,3,5-triazine
Molecular formula: C15H10ClN3
Molecular weight: 267.71

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 38.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 249

Physicochemical properties

Melting point: 138 · 138-140℃
Boiling point: 485.1 · 485.1±28.0 °C(Predicted)
Density: 1.265 · 1.265±0.06 g/cm3(Predicted)
refractive index: 1.57 · 1.57
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Soluble in toluene.
form: powder to crystal
pka: -0.19 · -0.19±0.10(Predicted)
color: 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 DataBase Reference: 3842 · 3842-55-5
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
HS Code: 2933698090 · 2933698090

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2933698090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Applications · 3 items

Uses2-chloro-4,6-diphenyl-1,3,5-triazine is a useful research chemical.

Description2-Chloro-4, 6-Diphenyl-1, 3, 5-Triazine is an OLED intermediate. It appears white powder at room temperature (20°C).

Uses2-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.