CAS 762262-09-9 (2-Methoxypyridin-4-yl)boronic acid (HCID 23546919)

기본 정보

CAS: 762262-09-9
표준 SMILES: COc1cc(B(O)O)ccn1
InChIKey: DHQMUJSACXTPEA-UHFFFAOYSA-N
분자식: C6H8BNO3
평균 분자량: 152.95 g/mol
단동위원소 질량: 153.05972352

이름 및 식별자

우선 이름: (2-Methoxypyridin-4-yl)boronic acid
IUPAC: (2-methoxy-4-pyridinyl)boronic acid
영어명: 2-Methoxypyridne-4-boronic acid
분자식: C6H8BNO3
분자량: 152.94

이름 및 동의어

762262-09-9(2-methoxypyridin-4-yl)boronic acid[2-Methoxypyridin-4-yl]boronic acidDTXSID10634895RefChem:206135DTXCID20585647640-221-52-methoxypyridine-4-boronic acid2-Methoxypyridne-4-Boronic Acid2-METHOXY-4-PYRIDINEBORONIC ACIDMFCD07368877(2-METHOXY-4-PYRIDYL)BORONIC ACID

이름 더 보기

2-Methoxypyridin-4-boronic acid4-Borono-2-methoxypyridine2-Methoxypridine-4-boronic acid2-Methoxy-4-pyridylboronic Acid2-METHOXY-4-PYRIDINYLBORONIC ACID(2-Methoxypyridin-4-yl)boronicaci

BORONIC ACID, (2-METHOXY-4-PYRIDINYL)-AKOS005256435AB32134GS-5847[2-(methyloxy)-4-pyridinyl]boronic acidZ12016240642-methoxypyridin-4-ylboronic acidAM20061670

데이터베이스 식별자

CAS: 762262-09-9
PubChem CID: 23546919
DTXSID: DTXSID10634895
UNII: WEL42KFW2Y
EC Number: 640-221-5

물성

구조 계산 물성

극성 표면적: 62.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 122

물리화학적 성질

끓는 점: 325.7 · 325.7±52.0 °C(Predicted)
밀도: 1.24 · 1.24±0.1 g/cm3(Predicted)
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
물리적 상태: powder to crystal
산도 계수 (pKa): 7.11 · 7.11±0.10(Predicted)
색상: White to Light yellow to Light orange
InChI: InChI=1S/C6H8BNO3/c1-11-6-4-5(7(9)10)2-3-8-6/h2-4,9-10H,1H3
InChIKey: DHQMUJSACXTPEA-UHFFFAOYSA-N
SMILES: B(C1C=CN=C(OC)C=1)(O)O

화학적 성질

White powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.