2-클로로-4,6-디페닐-1,3,5-트리아진

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

HCID 19698CAS 3842-55-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIKey: DDGPPAMADXTGTN-UHFFFAOYSA-N
분자식: C15H10ClN3
평균 분자량: 267.71 g/mol
단동위원소 질량: 267.056325

이름 및 식별자

우선 이름: 2-Chloro-4,6-diphenyl-1,3,5-triazine
IUPAC: 2-chloro-4,6-diphenyl-1,3,5-triazine
현지명: 2-클로로-4,6-디페닐-1,3,5-트리아진
영어명: 2-chloro-4,6-diphenyl-1,3,5-triazine
분자식: C15H10ClN3
분자량: 267.71

이름 및 동의어

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

이름 더 보기

2-클로로-4,6-디페닐-1,3,5-트리아진SKL317PTZ-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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 4.3
극성 표면적: 38.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 19
형식 전하: 0
복잡도: 249

물리화학적 성질

녹는점: 138 · 138-140℃
끓는 점: 485.1 · 485.1±28.0 °C(Predicted)
밀도: 1.265 · 1.265±0.06 g/cm3(Predicted)
굴절률: 1.57 · 1.57
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 톨루엔에 용해됩니다.
물리적 상태: powder to crystal
산도 계수 (pKa): -0.19 · -0.19±0.10(Predicted)
색상: 흰색에서 노란색, 주황색으로
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

화학적 성질

yellow powder

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

HS 번호: 2933698090

화학 및 산업

응용 분야 · 2건

개요2-Chloro-4, 6-Diphenyl-1, 3, 5-Triazine is an OLED intermediate. It appears white powder at room temperature (20°C).

용도2-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.