2, 7-bis (4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9-디-n-octylfluorene

9,9-Dioctylfluorene-2,7-diboronic acid bis(pinacol) ester

HCID 21982074
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기본 정보

CAS
196207-58-6
표준 SMILES
CCCCCCCCC1(CCCCCCCC)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21
InChIKey
FAHIZHKRQQNPLC-UHFFFAOYSA-N
분자식
C41H64B2O4
평균 분자량
642.6 g/mol
단동위원소 질량
642.49907133

이름 및 식별자

우선 이름
9,9-Dioctylfluorene-2,7-diboronic acid bis(pinacol) ester
IUPAC
2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
현지명
2, 7-bis (4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9-디-n-octylfluorene
영어명
(2,7-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9-dioctylfluorene)
분자식
C41H64B2O4
분자량
642.57

이름 및 동의어

9,9-Dioctylfluorene-2,7-diboronic acid bis(pinacol) esterRefChem:548991805-582-7196207-58-62,2'-(9,9-Dioctyl-9H-fluorene-2,7-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)9,9-Dioctylfluorene-2,7-bis(boronic acid pinacol ester)MFCD162945542-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane2,7-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9-di-n-octylfluorene9,9-Di-n-octylfluorene-2,7-diboronic acid bis(pinacol) esterC41H64B2O4(2,7-BIS(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-9,9-DIOCTYLFLUORENE)
이름 더 보기
2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9-디-n-octylfluoreneSF88-2B)-9,9-di-n-octyL2,7-Bis(4,4,5,5-tetramethyL(2,7-BIS(4,4,5,5-TETRAMETHYL-1,3,29H-Carbazole, 9-(1-octylnonyl)-2,7-bis(4,4,5,5-t2,7-bis(boronic acid pinacol ester)-9,9-Dioctylfluorene
9,9-Dioctyl-9H-fluorene-2,7-diboronic acid bis(pinacol) ester2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9-dioctylfluorene2,2'-(9,9-Dioctyl-9H-fluorene-2,7-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane);2,2'-(9,9-dioctyl-9H-fluorene-2,7-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)SCHEMBL370287SCHEMBL29399422SCHEMBL29453560DTXSID00621133

데이터베이스 식별자

CAS
196207-58-6
PubChem CID
21982074
DTXSID
DTXSID00621133
EC Number
805-582-7
Nikkaji
J961.035I

물성

구조 계산 물성

극성 표면적
36.9 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
16
무거운 원자 수
47

물리화학적 성질

녹는점
127 to · 127.0 to 131.0 °C
끓는 점
701.6 · 701.6±53.0 °C(Predicted)
밀도
1.01 · 1.01
저장 조건
2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태
powder to crystal
색상
흰색에서 거의 흰색

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk
3
HS 번호
29319090
safety_code
24/25
스토리지 클래스
11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

개요2,2'-(9,9-dioctyl-9H-fluorene-2,7-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane) is a fluorene derivatives. It belongs to organic semiconducting materials and can be used in the synthesis of OLED, PLED, OFET, and Polymer Solar Cells.

용도9,9-Di-n-octylfluorene-2,7-diboronic acid bis(pinacol) ester is a reactant in the synthesis of 6,6-(5,5-(9,9-dioctyl-9H-fluorene-2,7-diyl)bis(thiophene-5,2-diyl))bis(2,5-bis(2-ethylhexyl)-3-(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione) (DPP1), a solution-processable nonfullerene electron acceptor used in organic solar cells.

상·하류 제품 정보

공급사100 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
杭州奥得科技有限公司0571-88772972-0 15057128248 · [email protected]

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