2-Methylpyridine-5-boronic acid

HCID 2763081

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 659742-21-9
표준 SMILES: Cc1ccc(B(O)O)cn1
InChIKey: MZUSCPDSQJSBSY-UHFFFAOYSA-N
분자식: C6H8BNO2
평균 분자량: 136.95 g/mol
단동위원소 질량: 137.0648089

이름 및 식별자

우선 이름: 2-Methylpyridine-5-boronic acid
IUPAC: (6-methyl-3-pyridinyl)boronic acid
영어명: 6-Methylpyridine-3-boronic Acid
분자식: C6H8BNO2
분자량: 136.94

이름 및 동의어

2-METHYLPYRIDINE-5-BORONIC ACIDRefChem:476240689-887-9659742-21-9(6-methylpyridin-3-yl)boronic Acid6-Methylpyridine-3-boronic acid2-Picoline-5-boronic acid2-Methyl-5-pyridinylboronic acid6-Methylpyridin-3-ylboronic acidMFCD06801736(6-methyl-3-pyridyl)boronic acid(6-methyl-3-pyridinyl)boronic acid

이름 더 보기

2-Methyl-5-boronic acid2-Picoline-5-boronicaci2-picolin-5-boronic acid2-Methyl-5-pyridine acid6-Methylpyridine-3-Boronic2-methyl-5-pydineboronic acid2-METHYL-5-PYRIDINEBORONIC ACID

Boronic acid, (6-methyl-3-pyridinyl)-SCHEMBL1165846-methyl-3-pyridineboronic acid(6-methylpyridin-3-yl)-boronic acidAC-6166NCGC00249570-01AS-18717BCP03648

데이터베이스 식별자

CAS: 659742-21-9
PubChem CID: 2763081
DTXSID: DTXSID00984457
EC Number: 689-887-9

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

녹는점: 128 · 128-130°C
끓는 점: 294.7 · 294.7±42.0 °C(Predicted)
밀도: 1.18 · 1.18±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 가루
산도 계수 (pKa): 4.27 · 4.27±0.10(Predicted)
색상: 흰색에서 옅은 갈색까지
안정성: 흡습성
InChI: 1S/C6H8BNO2/c1-5-2-3-6(4-8-5)7(9)10/h2-4,9-10H,1H3
InChIKey: MZUSCPDSQJSBSY-UHFFFAOYSA-N
SMILES: Cc1ccc(cn1)B(O)O

화학적 성질

White to off-white solid

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 2 reports by companies from 2 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: 29333990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도6-Methylpyridine-3-boronic Acid is used in the preparation of various biologically active compound such as phosphoinositide-3-kinases (PI3K) and c-jun N-terminal kinase (JNK) inhibitors.