2,7-ジブロモ-9,9-ジ-n-オクチルフルオレン

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

HCID 5215321

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 198964-46-4
標準SMILES: CCCCCCCCC1(CCCCCCCC)c2cc(Br)ccc2-c2ccc(Br)cc21
InChIKey: CYKLQIOPIMZZBZ-UHFFFAOYSA-N
分子式: C29H40Br2
平均分子量: 548.4 g/mol
単同位体質量: 546.14967548

名称と識別子

優先名称: 2,7-Dibromo-9,9-di-n-octylfluorene
IUPAC: 2,7-dibromo-9,9-dioctylfluorene
現地名: 2,7-ジブロモ-9,9-ジ-n-オクチルフルオレン
英語名: 9,9-Dioctyl-2,7-dibromofluorene
分子式: C29H40Br2
分子量: 548.44

名称と別名

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

名称をさらに表示

2,7-ジブロモ-9,9-ジ-n-オクチルフルオレン9,9-ジオクチル-2,7-ジブロモフルオレン2,7-ジブロモ-9,9-ジオクチル-9H-フルオレン9,9-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

データベース識別子

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

物性

構造計算による物性

XLogP: 13.4
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 0
回転可能結合数: 14
重原子数: 31
形式電荷: 0
複雑度: 445

物理化学的性質

融点: 59 · 59-63 °C (lit.)
沸点: 567.2 · 567.2±43.0 °C(Predicted)
比重(密度): 1.212 · 1.212±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
外見: 個体
色: White to Almost white
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

化学的性質

化学的特性White solid

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 2
hs_code: 29039990
risk_code: 36/37/38
safety_code: 22-24/25-36/37/39-26
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 3 件

説明It 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.

使用9,9-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).

一般的な説明Intermediate for polymeric light-emitting diodes.