4-히드록시-3-메톡시페닐브롬산 피나콜에스터

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

HCID 2734650CAS 269410-22-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1O
InChIKey: WFSJROCEOJANPD-UHFFFAOYSA-N
분자식: C13H19BO4
평균 분자량: 250.1 g/mol
단동위원소 질량: 250.13763949

이름 및 식별자

우선 이름: 2-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
IUPAC: 2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
현지명: 4-히드록시-3-메톡시페닐브롬산 피나콜에스터
영어명: 2-METHOXY-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENOL
분자식: C13H19BO4
분자량: 250.1

이름 및 동의어

269410-22-22-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenolDTXSID30370420RefChem:87824DTXCID10321455628-175-44-Hydroxy-3-methoxyphenylboronic acid pinacol esterMFCD02093723PHENOL, 2-METHOXY-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-4-hydroxy-3-methoxyphenylboronic acid, pinacol ester4-Hydroxy-3-methoxybenzeneboronic acid, pinacol esterSCHEMBL9401

이름 더 보기

4-히드록시-3-메톡시페닐브롬산피나콜에스터4-hydroxy-3-methyloxybenzeneboronic acidolester4-Hydroxy-3-methoxyphenylboronic acid pinacol este4-Hydroxy-3-Methoxyphenylboronic acid pinacol ester 98%4-Hydroxy-3-methoxybenzeneboronic acid, pinacol ester 98%4-HYDROXY-3-METHOXYPHENYLBORONIC ACID, PINACOL CYCLIC ESTER2-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol,97%

2-methoxy-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenol(4-HYDROXY-3-METHOXYPHENYL)BORONIC ACID PINACOL ESTER2-methoxy-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenol2-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-phenolAKOS005256839AS-3284NCGC00663052-01BP-12811

데이터베이스 식별자

CAS: 269410-22-2
PubChem CID: 2734650
DTXSID: DTXSID30370420
EC Number: 628-175-4
Nikkaji: J2.152.801C

물성

구조 계산 물성

극성 표면적: 47.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 18
형식 전하: 0
복잡도: 289

물리화학적 성질

녹는점: 105 · 105-109 °C(lit.)
끓는 점: 367.3 · 367.3±32.0 °C(Predicted)
밀도: 1.11 · 1.11±0.1 g/cm3(Predicted)
저장 조건: 2 · Sealed in dry,2-8°C
물리적 상태: 결정성 분말
산도 계수 (pKa): 9.66 · 9.66±0.35(Predicted)
색상: 흰색에서 크림색으로
InChI: 1S/C13H19BO4/c1-12(2)13(3,4)18-14(17-12)9-6-7-10(15)11(8-9)16-5/h6-8,15H,1-5H3
InChIKey: WFSJROCEOJANPD-UHFFFAOYSA-N
SMILES: COc1cc(ccc1O)B2OC(C)(C)C(C)(C)O2

화학적 성질

white to cream crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): 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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29310099
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도4-Hydroxy-3-methoxyphenylboronic acid, pinacol ester

상·하류 제품 정보

상류 원료

공급사50 곳

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

天津羲泽润科技有限公司18622687818 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

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

연결된 노트

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