3,6-디페닐-9H-카바졸

3,6-Diphenylcarbazole

HCID 3123295

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 56525-79-2
표준 SMILES: c1ccc(-c2ccc3[nH]c4ccc(-c5ccccc5)cc4c3c2)cc1
InChIKey: PCMKGEAHIZDRFL-UHFFFAOYSA-N
분자식: C24H17N
평균 분자량: 319.4 g/mol
단동위원소 질량: 319.13609954

이름 및 식별자

우선 이름: 3,6-Diphenylcarbazole
IUPAC: 3,6-diphenyl-9H-carbazole
현지명: 3,6-디페닐-9H-카바졸
영어명: 3,6-Diphenyl-9H-carbazole
분자식: C24H17N
분자량: 319.4

이름 및 동의어

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

이름 더 보기

3,6-디페닐-9H-카바졸EFFA3,6-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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 6.6
극성 표면적: 15.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 0
회전 가능 결합 수: 2
무거운 원자 수: 25
형식 전하: 0
복잡도: 393

물리화학적 성질

녹는점: 186 ℃ · 186℃
끓는 점: 575 ℃ · 575℃
밀도: 1.198 · 1.198
인화점: 256 ℃ · 256℃
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 16.82 · 16.82±0.30(Predicted)
색상: 흰색에서 거의 흰색
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

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

안전 데이터

HS 번호: 2933.99.8290

화학 및 산업

응용 분야 · 1건

개요3,6-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.