2-Methylpyridine-3-boronic acid

HCID 20111647

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 899436-71-6
표준 SMILES: Cc1ncccc1B(O)O
InChIKey: TWKMYNQPIICYNV-UHFFFAOYSA-N
분자식: C6H8BNO2
평균 분자량: 136.95 g/mol
단동위원소 질량: 137.0648089

이름 및 식별자

우선 이름: 2-Methylpyridine-3-boronic acid
IUPAC: (2-methyl-3-pyridinyl)boronic acid
영어명: 2-Methylpyridine-3-boronic acid
분자식: C6H8BNO2
분자량: 136.94

이름 및 동의어

2-METHYLPYRIDINE-3-BORONIC ACIDRefChem:476228812-429-8899436-71-6(2-methylpyridin-3-yl)boronic acid2-Methyl-3-pyridinylboronic acid2-Methylpyridin-3-ylboronic acidMFCD073688252-methyl-3-pyridineboronic acidBoronic acid, B-(2-methyl-3-pyridinyl)-DTXSID806025812-methylpyridin-3-yl-3-boronic acid

이름 더 보기

3-Borono-2-methylpyridine2-PICOLINE-3-BORONIC ACID2-Methylpyridine-3-boronic aci2-Methylpyridine-3-boronic acid 96%2-Methylpyridine-3-boronic acid, tech

2-Methyl-3-pyridinylboronic acid(Lithium salt)EN300-316427(2-methyl-3-pyridyl)boronic acid2-Methyl-3-pyridinyl boronic acid(2-methyl-3-pyridinyl)boronic acidBoronic acid, (2-methyl-3-pyridinyl)-SCHEMBL586439SCHEMBL29515564

데이터베이스 식별자

CAS: 899436-71-6
PubChem CID: 20111647
DTXSID: DTXSID80602581
EC Number: 812-429-8

물성

구조 계산 물성

극성 표면적: 53.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 110

물리화학적 성질

끓는 점: 303.6 · 303.6±44.0 °C(Predicted)
밀도: 1.18 · 1.18±0.1 g/cm3(Predicted)
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
산도 계수 (pKa): 4.08 · 4.08±0.58(Predicted)
물리적 상태: 고체
색상: 갈색을 띤 노란색
InChI: InChI=1S/C6H8BNO2/c1-5-6(7(9)10)3-2-4-8-5/h2-4,9-10H,1H3
InChIKey: TWKMYNQPIICYNV-UHFFFAOYSA-N
SMILES: B(C1=CC=CN=C1C)(O)O

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (25%): 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.