2-(하이드록시메틸)피리딘-5-붕소산

6-(Hydroxymethyl)pyridine-3-boronic acid

HCID 44118255

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 913835-98-0
표준 SMILES: OCc1ccc(B(O)O)cn1
InChIKey: MSUQKXAJTUAESD-UHFFFAOYSA-N
분자식: C6H8BNO3
평균 분자량: 152.95 g/mol
단동위원소 질량: 153.05972352

이름 및 식별자

우선 이름: 6-(Hydroxymethyl)pyridine-3-boronic acid
IUPAC: [6-(hydroxymethyl)-3-pyridinyl]boronic acid
현지명: 2-(하이드록시메틸)피리딘-5-붕소산
영어명: 2-(Hydroxymethyl)pyridine-5-boronic acid
분자식: C6H8BNO3
분자량: 152.94

이름 및 동의어

6-(Hydroxymethyl)pyridine-3-boronic acidRefChem:539739640-204-2913835-98-0(6-(Hydroxymethyl)pyridin-3-yl)boronic acid2-(HYDROXYMETHYL)PYRIDINE-5-BORONIC ACID[6-(hydroxymethyl)pyridin-3-yl]boronic acidMFCD09027230Boronicacid, B-[6-(hydroxymethyl)-3-pyridinyl]-[6-(hydroxymethyl)-3-pyridyl]boronic acidSCHEMBL428618SCHEMBL29590241

이름 더 보기

2-(하이드록시메틸)피리딘-5-붕소산6-(Hydroxymethyl)pyridine-3-boronic6-(hydroxymethyl)-pyridin-3-boronic acid6-(HYDROXYMETHYL)-3-PYRIDINEBORONIC ACID(6-(Hydroxymethyl)pyridin-3-yl)boronicaci6-(Hydroxymethyl)pyridine-3-boronicacid95%6-(Hydroxymethyl)pyridine-3-boronic acid 97%

DTXSID60656800MSUQKXAJTUAESD-UHFFFAOYSA-NAKOS006344730FD10242AS-66050SY033340CS-0088413F209116

데이터베이스 식별자

CAS: 913835-98-0
PubChem CID: 44118255
DTXSID: DTXSID60656800
EC Number: 640-204-2

물성

구조 계산 물성

극성 표면적: 73.6 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 122

물리화학적 성질

끓는 점: 384 · 384.0±52.0 °C(Predicted)
밀도: 1.34 · 1.34±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 3.96 · 3.96±0.10(Predicted)
물리적 상태: 고체
색상: 베이지색
InChI: 1S/C6H8BNO3/c9-4-6-2-1-5(3-8-6)7(10)11/h1-3,9-11H,4H2
InChIKey: MSUQKXAJTUAESD-UHFFFAOYSA-N
SMILES: OCc1ccc(cn1)B(O)O

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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.