9,9-디옥틸-2,7-디브로모플루오렌

2,7-Dibromo-9,9-di-n-octylfluorene

HCID 5215321

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 198964-46-4
표준 SMILES: CCCCCCCCC1(CCCCCCCC)c2cc(Br)ccc2-c2ccc(Br)cc21
InChIKey: CYKLQIOPIMZZBZ-UHFFFAOYSA-N
분자식: C29H40Br2
평균 분자량: 548.4 g/mol
단동위원소 질량: 546.14967548

이름 및 식별자

우선 이름: 2,7-Dibromo-9,9-di-n-octylfluorene
IUPAC: 2,7-dibromo-9,9-dioctylfluorene
현지명: 9,9-디옥틸-2,7-디브로모플루오렌
영어명: 9,9-Dioctyl-2,7-dibromofluorene
분자식: C29H40Br2
분자량: 548.44

이름 및 동의어

2,7-Dibromo-9,9-di-n-octylfluoreneRefChem:445939679-876-79,9-Dioctyl-2,7-dibromofluorene198964-46-42,7-Dibromo-9,9-dioctylfluorene2,7-DIBROMO-9,9-DIOCTYL-9H-FLUORENE9H-Fluorene, 2,7-dibromo-9,9-dioctyl-MFCD034272162,7-dibromo-9,9-di-n-octyl-9h-fluoreneSCHEMBL197894DTXSID60410565

이름 더 보기

9,9-디옥틸-2,7-디브로모플루오렌9,9-DioctyLCAS:198964-46-4DSK Innosciences9,9-Dioctyl-2,7-dibroMof9,9-Dioctyl-2,7-dibroMoflurene9,9-Dioctyl-2,7-diformylfluorne9,9-DioCLyl-2,7-DibroMofluorene9,9-DIOCTYL-2,7-DIFORMYLFLUORENE2,7-DibroMo-9,9-dioctyl fluorine

AKOS015839923AC-48969,9-di-(n-octyl)-2,7-dibromofluoreneSY0528422,7-dibromo-9,9-dioctyl-fluoreneFT-06567449,9-Dioctyl-7-dibromofluoreneSCHEMBL29385697

데이터베이스 식별자

CAS: 198964-46-4
PubChem CID: 5215321
DTXSID: DTXSID60410565
EC Number: 679-876-7
Nikkaji: J961.033B

물성

구조 계산 물성

XLogP: 13.4
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 14
무거운 원자 수: 31
형식 전하: 0
복잡도: 445

물리화학적 성질

녹는점: 59 · 59-63 °C (lit.)
끓는 점: 567.2 · 567.2±43.0 °C(Predicted)
밀도: 1.212 · 1.212±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 고체
색상: 흰색에서 거의 흰색
InChI: 1S/C29H40Br2/c1-3-5-7-9-11-13-19-29(20-14-12-10-8-6-4-2)27-21-23(30)15-17-25(27)26-18-16-24(31)22-28(26)29/h15-18,21-22H,3-14,19-20H2,1-2H3
InChIKey: CYKLQIOPIMZZBZ-UHFFFAOYSA-N
SMILES: CCCCCCCCC1(CCCCCCCC)c2cc(Br)ccc2-c3ccc(Br)cc13

화학적 성질

White solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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

wgk: 2
HS 번호: 29039990
risk_code: 36/37/38
safety_code: 22-24/25-36/37/39-26
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 3건

개요It can be used as an intermediate for polymeric light-emitting diodes or pharmaceutical intermediates. It can also be used as a raw material for microwave-assisted reaction.

용도9,9-Dioctyl-2,7-dibromofluorene is a reactant in the synthesis of 5,5''-(9,9-dioctyl-9H-fluorene-2,7-diyl)bis(thiophene-2-carbaldehyde), a donor-acceptor type photoelectrical material used in organic light-emitting diodes (OLEDs), organic photovoltaic (OPVs) and organic field-effect transistors (OFETs).

일반 설명Intermediate for polymeric light-emitting diodes.