CAS 78782-27-1 4,4,5,5-tetramethyl-2-((E)-2-phenylethenyl)-1,3,2-dioxaborolane (HCID 5708413)

기본 정보

CAS: 78782-27-1
표준 SMILES: CC1(C)OB(/C=C/c2ccccc2)OC1(C)C
InChIKey: ARAINKADEARZLZ-ZHACJKMWSA-N
분자식: C14H19BO2
평균 분자량: 230.11 g/mol
단동위원소 질량: 230.14781025

이름 및 식별자

우선 이름: 4,4,5,5-tetramethyl-2-((E)-2-phenylethenyl)-1,3,2-dioxaborolane
IUPAC: 4,4,5,5-tetramethyl-2-[(E)-2-phenylethenyl]-1,3,2-dioxaborolane
영어명: trans-2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)styrene
분자식: C14H19BO2
분자량: 230.11

이름 및 동의어

83947-56-278782-27-14,4,5,5-tetramethyl-2-[(E)-2-phenylethenyl]-1,3,2-dioxaborolane4,4,5,5-TETRAMETHYL-2-((E)-2-PHENYLETHENYL)-1,3,2-DIOXABOROLANERefChem:507037trans-b-Styrylboronic acid pinacol ester641-148-1848-539-8(E)-4,4,5,5-Tetramethyl-2-styryl-1,3,2-dioxaborolane4,4,5,5-Tetramethyl-2-styryl-1,3,2-dioxaborolanee-phenylethenylboronic acid, pinacol esterMFCD03453666

이름 더 보기

E-Styrylboronic acid pinacol esterBETA-STYRYLBORONIC ACID PINACOL ESTERTRANS-STYRYLBORONIC ACID, PINACOL ESTERtrans-2-Styreneboronic acid pinacol estertrans-^b-Styrylboronic acid pinacol ester, 99%[(E)-2-Phenylvinyl]boronic acid, pinacol estertrans-beta-Styrylboronic acid pinacol ester, 99%trans-2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-

trans-2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)styreneSCHEMBL1007719trans-2-Phenylvinylboronic acid pinacol esterAKOS0159600644,4,5,5-tetramethyl-2-[(1E)-2-phenylethenyl]-1,3,2-dioxaborolaneF11372E-Phenylethenylboronic acid,pinacol esterstyrylboronic acid pinacol ester

물성

구조 계산 물성

극성 표면적: 18.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 17
형식 전하: 0
복잡도: 275

물리화학적 성질

녹는점: 27 · 27-33 °C(lit.)
끓는 점: 128 °C/4mm · 128°C/4mm
밀도: 0.99 · 0.99±0.1 g/cm3(Predicted)
굴절률: 1.529 · 1.5290
인화점: 230 °F · >230 °F
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
물리적 상태: 액체
색상: 무색~담황색 투명
BRN: 8617179 · 8617179
InChI: InChI=1S/C14H19BO2/c1-13(2)14(3,4)17-15(16-13)11-10-12-8-6-5-7-9-12/h5-11H,1-4H3/b11-10+
InChIKey: ARAINKADEARZLZ-ZHACJKMWSA-N
SMILES: O1C(C)(C)C(C)(C)OB1/C=C/C1=CC=CC=C1

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Not Classified

유해성 정보

Hazard Classes and Categories · 2건

Acute Tox. 4 (50%)

Not Classified

안전 데이터

wgk: 3
HS 번호: 29310099
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 1건

용도Reactant for:Oxidative coupling reactions catalyzed by arenerutheniumCycloaddition reactionsPreparation of allyl vinyl ethers via Cu-catalyzed coupling with alcoholsPreparation of 5-vinyl-3-pyridinecarbonitriles as PKCθ inhibitorsDiastereoselective addition to zincated hydrazones and stereospecific trapping of boron/zinc bimetallic intermediates by carbon electrophilesRegioselective and stereoselective Pd-catalyzed chelate-controlled intermolecular oxidative Heck reactions