4-Methylpyridine-3-Boronic Acid

HCID 2762711

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 148546-82-1
표준 SMILES: Cc1ccncc1B(O)O
InChIKey: ASXFMIDIRZPCGK-UHFFFAOYSA-N
분자식: C6H8BNO2
평균 분자량: 136.95 g/mol
단동위원소 질량: 137.0648089

이름 및 식별자

우선 이름: 4-Methylpyridine-3-Boronic Acid
IUPAC: (4-methyl-3-pyridinyl)boronic acid
영어명: 4-Methylpyridine-3-boronic acid
분자식: C6H8BNO2
분자량: 136.94

이름 및 동의어

4-Methylpyridine-3-Boronic Acid148546-82-1DTXSID70376385RefChem:294678DTXCID70327413695-785-5(4-methylpyridin-3-yl)boronic Acid4-methylpyridin-3-ylboronic acidMFCD03788244(4-METHYL-3-PYRIDYL)BORONIC ACID4-METHYLPYRIDIN-3-YL-3-BORONIC ACIDBORONIC ACID, B-(4-METHYL-3-PYRIDINYL)-

이름 더 보기

AKOS BRN-06773-Borono-4-picoline4-Methyl-3-pyridine acid4-PICOLINE-5-BORONIC ACID4-PICOLINE-3-BORONIC ACID3-Borono-4-methylpyridine4-Methylpyridine-3-Boronic4-Methylpyridine-3-boronicaci

(4-METHYL-3-PYRIDINYL)BORONIC ACIDBORONIC ACID, (4-METHYL-3-PYRIDINYL)-4-METHYL-3-PYRIDINEBORONIC ACID4-methyl-3-pyridylboronic acid(4-Methyl-3-pyridinyl)-boronic acidSCHEMBL248787BORONIC ACID, (4-METH4-methylpyridine-3 boronic acid

데이터베이스 식별자

CAS: 148546-82-1
PubChem CID: 2762711
DTXSID: DTXSID70376385
EC Number: 695-785-5
Nikkaji: J3.445.494I

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: 327.4 · 327.4±44.0 °C(Predicted)
밀도: 1.18 · 1.18±0.1 g/cm3(Predicted)
저장 조건: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
산도 계수 (pKa): 4.08 · 4.08±0.58(Predicted)
물리적 상태: 액체
색상: 무색~담황색 투명
InChI: InChI=1S/C6H8BNO2/c1-5-2-3-8-4-6(5)7(9)10/h2-4,9-10H,1H3
InChIKey: ASXFMIDIRZPCGK-UHFFFAOYSA-N
SMILES: B(C1=C(C)C=CN=C1)(O)O

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.