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

HCID 3866161CAS 445264-60-8

기본 정보

표준 SMILES: COc1cncc(B2OC(C)(C)C(C)(C)O2)c1
InChIKey: HENXUFOAGXNWKH-UHFFFAOYSA-N
분자식: C12H18BNO3
평균 분자량: 235.09 g/mol
단동위원소 질량: 235.13797384

이름 및 식별자

우선 이름: 3-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
IUPAC: 3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
영어명: 3-Methoxypyridine-5-boronic acid pinacol ester
분자식: C12H18BNO3
분자량: 235.09

이름 및 동의어

445264-60-83-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridineDTXSID10397599RefChem:280426DTXCID40348458834-020-33-Methoxypyridine-5-boronic acid pinacol ester5-Methoxy-3-pyridineboronic acid pinacol ester3-Methoxy-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridine3-Methoxy-5-pyridineboronic acid pinacol esterMFCD03412068Pyridine, 3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

이름 더 보기

5-methoxypyridine-3-boryl ester5-methoxy-3-pyridine borate acidpyridineboronic acid pinacol ester5-Methoxy-3-pyridylboronic Acid Pinacol Ester(3-Methoxypyridin-5-yl)boronic acid pinacol est(3-Methoxypyridin-5-yl)boronic acid pinacol ester

(5-METHOXYPYRIDIN-3-YL)BORONIC ACID PINACOL ESTER5-Methoxypyridine-3-boronic acid, pinacol ester3-methoxy-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-pyridine5-Methoxypyridine-3-boronic acid pinacol esterMethoxypyridine-3-boronic acid,pinacolesterFT-06947713-METHOXY-5-(PINACOLBORANATO)PYRIDINE

데이터베이스 식별자

CAS: 445264-60-8
PubChem CID: 3866161
DTXSID: DTXSID10397599
EC Number: 834-020-3

물성

구조 계산 물성

극성 표면적: 40.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 17
형식 전하: 0
복잡도: 267

물리화학적 성질

녹는점: 100 · 100-108℃
끓는 점: 346.34 · 346.340±27.00 °C(Press: 760.00 Torr)(predicted)
밀도: 1.067 · 1.067±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: powder to crystal
산도 계수 (pKa): 4.786 · 4.786±0.10(predicted)
색상: 흰색에서 거의 흰색
InChI: 1S/C12H18BNO3/c1-11(2)12(3,4)17-13(16-11)9-6-10(15-5)8-14-7-9/h6-8H,1-5H3
InChIKey: HENXUFOAGXNWKH-UHFFFAOYSA-N
SMILES: COc1cncc(c1)B2OC(C)(C)C(C)(C)O2

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 3 reports by companies from 3 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: 2933399990
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도3-Methoxypyridine-5-boronic acid pinacol ester is for use in Suzuki-Miyaura aryl-aryl cross-coupling.

상·하류 제품 정보

상류 원료

공급사50 곳

上海康恩博医药科技有限公司17510465506 · [email protected]

郑州海阔光电材料有限公司67759225 13526468238 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

杭州鸿喜生物医药科技有限公司18989489206 · [email protected]

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

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