4-히드록시페닐브롬산 피나콜에스터

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

HCID 2734624

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 269409-70-3
표준 SMILES: CC1(C)OB(c2ccc(O)cc2)OC1(C)C
InChIKey: BICZJRAGTCRORZ-UHFFFAOYSA-N
분자식: C12H17BO3
평균 분자량: 220.07 g/mol
단동위원소 질량: 220.1270748

이름 및 식별자

우선 이름: 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
IUPAC: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
현지명: 4-히드록시페닐브롬산 피나콜에스터
영어명: 4-Hydroxyphenylboronic acid pinacol ester
분자식: C12H17BO3
분자량: 220.07

이름 및 동의어

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenolRefChem:513468627-688-0269409-70-34-Hydroxyphenylboronic acid pinacol esterMFCD020937564-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenol(4-HYDROXYPHENYL)BORONIC ACID PINACOL ESTER2-(4-Hydroxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane4-hydroxyphenylboronic acid, pinacol esterPHENOL, 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-CS-W002879

이름 더 보기

4-히드록시페닐브롬산피나콜에스터4-HYDROXYBENZENEBORONIC ACID4-(4,4,5,5-Tetramethyl-1,3,2-D4-HYDROXYPHENYLBORONIC ACID PINACOLATE4-Hydroxyphenylboronic acid picol esterHydroxyphenylboronic acid pinacol ester4-Hydroxphenylboronil acid pinaacolaster4-HYDROXYBENZENEBORONIC ACID, PINACOL ESTER

T19544-Hydroxyphenylboronic acid pinacol cyclic ester4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2yl)phenol4-(4,4,5,5,-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-phenolFT-0644217SCHEMBL102562orb2940411

데이터베이스 식별자

CAS: 269409-70-3
PubChem CID: 2734624
DTXSID: DTXSID70370404
UNII: S6BC78LC96
EC Number: 627-688-0
Nikkaji: J2.278.414E

물성

구조 계산 물성

극성 표면적: 38.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 16
형식 전하: 0
복잡도: 241

물리화학적 성질

녹는점: 113 · 113-117 °C (lit.)
끓는 점: 333.8 · 333.8±25.0 °C(Predicted)
밀도: 1.08 · 1.08±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 아세토니트릴, DMSO, 메탄올에 용해됨
산도 계수 (pKa): 9.61 · 9.61±0.30(Predicted)
물리적 상태: 결정성 분말
색상: 노란색에서 밝은 갈색까지
수용성: 불용성
InChI: InChI=1S/C12H17BO3/c1-11(2)12(3,4)16-13(15-11)9-5-7-10(14)8-6-9/h5-8,14H,1-4H3
InChIKey: BICZJRAGTCRORZ-UHFFFAOYSA-N
SMILES: C1(O)=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1

화학적 성질

yellow to light brown crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 3.8% (2 of 53) of reports.

Warning

H315 (94.3%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 53 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 29-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/31721

Hazard Classes and CategoriesSkin Irrit. 2 (94.3%)

안전 데이터

wgk: 3
tsca: No
HS 번호: 29319090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도4-Hydroxyphenylboronic acid pinacol ester is widely used in Suzuki coupling chemistry.

상·하류 제품 정보

상류 원료

하류 제품

2-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethanol 4,4,5,5-tetramethyl-2-(4-((3-methylbenzyl)oxy)phenyl)-1,3,2-dioxaborolane 4,4,5,5-Tetramethyl-2-[4-(oxan-4-yloxy)phenyl]-1,3,2-dioxaborolane tert-butyl 4-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]piperidine-1-carboxylate

공급사100 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

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