2-クロロ-4,6-ジフェニル-1,3,5-トリアジン

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

HCID 19698CAS 3842-55-5

部分構造検索類似構造を探す

基本情報

標準SMILES: Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIKey: DDGPPAMADXTGTN-UHFFFAOYSA-N
分子式: C15H10ClN3
平均分子量: 267.71 g/mol
単同位体質量: 267.056325

名称と識別子

優先名称: 2-Chloro-4,6-diphenyl-1,3,5-triazine
IUPAC: 2-chloro-4,6-diphenyl-1,3,5-triazine
現地名: 2-クロロ-4,6-ジフェニル-1,3,5-トリアジン
英語名: 2-chloro-4,6-diphenyl-1,3,5-triazine
分子式: C15H10ClN3
分子量: 267.71

名称と別名

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

名称をさらに表示

2-クロロ-4,6-ジフェニル-1,3,5-トリアジン2,6-ジフェニル-4-クロロ-1,3,5-トリアジン2,4-ジフェニル-6-クロロ-1,3,5-トリアジン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

データベース識別子

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

物性

構造計算による物性

XLogP: 4.3
極性表面積: 38.7 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 19
形式電荷: 0
複雑度: 249

物理化学的性質

融点: 138 · 138-140℃
沸点: 485.1 · 485.1±28.0 °C(Predicted)
比重(密度): 1.265 · 1.265±0.06 g/cm3(Predicted)
屈折率: 1.57 · 1.57
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: トルエンに可溶。
外見: powder to crystal
酸解離定数(Pka): -0.19 · -0.19±0.10(Predicted)
色: 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 データベース: 3842 · 3842-55-5

化学的性質

化学的特性yellow powder

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

hs_code: 2933698090

化学と産業

応用分野 · 2 件

説明2-Chloro-4, 6-Diphenyl-1, 3, 5-Triazine is an OLED intermediate. It appears white powder at room temperature (20°C).

使用2-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.