3-히드록시페닐브롬산 피나콜에스터

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

HCID 2734623

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 214360-76-6
표준 SMILES: CC1(C)OB(c2cccc(O)c2)OC1(C)C
InChIKey: MUKIFYQKIZOYKT-UHFFFAOYSA-N
분자식: C12H17BO3
평균 분자량: 220.07 g/mol
단동위원소 질량: 220.1270748

이름 및 식별자

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

이름 및 동의어

214360-76-63-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenolDTXSID103704033-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-phenolRefChem:492260DTXCID90321438627-498-83-Hydroxyphenylboronic acid pinacol esterMFCD020937553-hydroxyphenylboronic acid, pinacol esterPhenol, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

이름 더 보기

3-히드록시페닐브롬산피나콜에스터132347522562_AldrichPinacol cyclic ester2-DIOXABOROLAN-2-YL)PHENOL3-Hydroxyphenylboronic acid pinacol este3-HYDROXYBENZENEBORONIC ACID PINACOL ESTER3-Hydroxybenzeneboronic acid, pinacol ester 98%3-HYDROXYPHENYLBORONIC ACID, PINACOL CYCLIC ESTER

2-(3-Hydroxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane(3-HYDROXYPHENYL)BORONIC ACID PINACOL ESTERHY-W0058643-Hydroxyphenylboronic acid pinacol ester, 97%SCHEMBL177535orb2940381SCHEMBL16087354SCHEMBL29490787

데이터베이스 식별자

CAS: 214360-76-6
PubChem CID: 2734623
DTXSID: DTXSID10370403
UNII: S9439Y82RG
EC Number: 627-498-8
Nikkaji: J2.079.584K

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: 249

물리화학적 성질

녹는점: 94 · 94-98 °C(lit.)
끓는 점: 343.6 · 343.6±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
수용성: 물에 불용성
산도 계수 (pKa): 10.01 · 10.01±0.10(Predicted)
물리적 상태: 결정성 분말
색상: 연한 갈색
InChI: InChI=1S/C12H17BO3/c1-11(2)12(3,4)16-13(15-11)9-6-5-7-10(14)8-9/h5-8,14H,1-4H3
InChIKey: MUKIFYQKIZOYKT-UHFFFAOYSA-N
SMILES: C1(O)=CC=CC(B2OC(C)(C)C(C)(C)O2)=C1

화학적 성질

light brown crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (97.7%): 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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.