2-Methylpyridine-4-boronic acid

HCID 4192664CAS 579476-63-4

기본 정보

표준 SMILES: Cc1cc(B(O)O)ccn1
InChIKey: UFYBTLOLWSABAU-UHFFFAOYSA-N
분자식: C6H8BNO2
평균 분자량: 136.95 g/mol
단동위원소 질량: 137.0648089

이름 및 식별자

우선 이름: 2-Methylpyridine-4-boronic acid
IUPAC: (2-methyl-4-pyridinyl)boronic acid
영어명: 2-Methylpyridine-4-boronic acid
분자식: C6H8BNO2
분자량: 136.94

이름 및 동의어

2-Methylpyridine-4-boronic acid579476-63-4DTXSID00400622RefChem:263979DTXCID50351478640-238-8(2-methylpyridin-4-yl)boronic Acid2-Picoline-4-boronic acid2-methylpyridin-4-ylboronic acidMFCD030953642-Methylpyridine-4-boronicacid(2-Methyl-4-pyridinyl)boronic acid

이름 더 보기

4-Borono-2-methylpyridine2-METHYL-4-PYRIDINEBORIC ACID2-Methylpyridine-4-boronicaci2-METHYL-4-PYRIDINYLBORONIC ACID(2-Methylpyridine-4-yl)boronic acid

(2-Methyl-4-pyridinyl)-boronic acid2-METHYLPYRIDIN-4-YL-4-BORONIC ACID2-methylpyridin-4-boronic acid2-methyl-4-pyridine boronic acid2-METHYL-4-PYRIDINEBORONIC ACID(2-methyl-4-pyridyl)boronic acidBORONIC ACID, (2-METHYL-4-PYRIDINYL)-SCHEMBL8870

데이터베이스 식별자

CAS: 579476-63-4
PubChem CID: 4192664
DTXSID: DTXSID00400622
EC Number: 640-238-8
Nikkaji: J2.808.885J

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: 311.2 · 311.2±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
물리적 상태: 결정성 분말
산도 계수 (pKa): 7 · 7+-.0.10(Predicted)
색상: 크림색

화학적 성질

white to light yellow crystal powder

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 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.