CAS 99770-93-1 2,2'-(1,4-Phenylene)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane) (HCID 10592495)

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기본 정보

CAS: 99770-93-1
표준 SMILES: CC1(C)OB(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)OC1(C)C
InChIKey: UOJCDDLTVQJPGH-UHFFFAOYSA-N
분자식: C18H28B2O4
평균 분자량: 330 g/mol
단동위원소 질량: 330.21737018

개요

See also: 1,4-Phenyldiboronic acid, bis(pinacol) ester (annotation moved to).

이름 및 식별자

우선 이름: 2,2'-(1,4-Phenylene)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
IUPAC: 4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
현지명: 1,4-벤젠디보론산비스(피나콜)에스테르
영어명: 1,4-Benzenediboronic acid bis(pinacol) ester
분자식: C18H28B2O4
분자량: 330.03

이름 및 동의어

DTXSID304422572,2'-(1,4-phenylene)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)RefChem:1058852DTXCID3039307899770-93-11,4-Bis(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzene1,4-Benzenediboronic acid bis(pinacol) ester4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolaneMFCD082768521,4-PHENYLENEDIBORONIC ACID, PINACOL ESTER14-Benzenediboronic Acid Bis(pinacol) Ester1,4-Phenyldiboronic acid pinacol ester

이름 더 보기

1,4-벤젠디보론산비스(피나콜)에스테르Benzene-1,4-diboronic acid, pinacol diesterM71201,4-Benzenediboronic acid dipinac1,4-bisbenzenediboronic acidolester1 4-BENZENEDIBORONIC ACID DIPICOL EST%1 4-BENZENEDIBORONIC ACID DIPINACOL EST%1,4-Phenylenediboronic acid, pinacol di96%1,4-Pinnayl ester of phenyldiboronic acid,

10.14272/UOJCDDLTVQJPGH-UHFFFAOYSA-N.11,4-Phenylenediboronic acid pinacol ester1,4-Benzenediboronic acid dipinacol ester1,3,2-Dioxaborolane, 2,2'-(1,4-phenylene)bis[4,4,5,5-tetramethyl-SCHEMBL2282121,4-bis(4,4,5,AKOS015960165AS-2397

물성

구조 계산 물성

극성 표면적: 36.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 24
형식 전하: 0
복잡도: 405

물리화학적 성질

녹는점: 241 · 241-245 °C
끓는 점: 416.3 · 416.3±28.0 °C(Predicted)
밀도: 1.03 · 1.03±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 톨루엔에 용해됨
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
InChI: InChI=1S/C18H28B2O4/c1-15(2)16(3,4)22-19(21-15)13-9-11-14(12-10-13)20-23-17(5,6)18(7,8)24-20/h9-12H,1-8H3
InChIKey: UOJCDDLTVQJPGH-UHFFFAOYSA-N
SMILES: C1(B2OC(C)(C)C(C)(C)O2)=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1

안전 및 규제

안전 데이터

wgk: 3
HS 번호: 29349990
hazard_code: Xi
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도Reagent used forSuzuki-Miyaura cross-coupling reactions and polymerizations Reagent used in Prepration ofEfficient solar cell photoelectric polymers Field-effect transistors and photovoltaic cells Fluorescent compounds and materials such as Blue OLED devices, Blue Polymeric Light Emitting Diodes, and White LEDs