5-(메틸포닐)-3-피리딘붕산

5-(Methylsulphonyl)pyridine-3-boronic acid

HCID 44119381

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 913836-01-8
표준 SMILES: CS(=O)(=O)c1cncc(B(O)O)c1
InChIKey: YGXNPQDXWDCWET-UHFFFAOYSA-N
분자식: C6H8BNO4S
평균 분자량: 201.01 g/mol
단동위원소 질량: 201.02670914

이름 및 식별자

우선 이름: 5-(Methylsulphonyl)pyridine-3-boronic acid
IUPAC: (5-methylsulfonyl-3-pyridinyl)boronic acid
현지명: 5-(메틸포닐)-3-피리딘붕산
영어명: 5-(METHYLSULFONYL)-3-PYRIDINEBORONIC ACID
분자식: C6H8BNO4S
분자량: 201.01

이름 및 동의어

5-(Methylsulphonyl)pyridine-3-boronic acidB-[5-(methylsulfonyl)-3-pyridinyl]Boronic acidB-(5-(Methylsulfonyl)-3-pyridinyl)boronic acidRefChem:531412685-589-8913836-01-85-(Methylsulfonyl)pyridine-3-boronic acid5-(methylsulfonyl)-3-pyridineboronic acid(5-methylsulfonylpyridin-3-yl)boronic acidMFCD08689536(5-(methylsulfonyl)pyridin-3-yl)boronic acid5-(methylsulfonyl)pyridin-3-ylboronic acid

이름 더 보기

5-(메틸포닐)-3-피리딘붕산5-(Methylsulphonyl)pyridine-3-boronic5-(Methylsulphonyl)pyridine-3-boronicacid98%5-(Methylsulphonyl)pyridine-3-boronic acid 98%5-(Methylsulfonyl)pyridine-3-boronic acid, 98%,Boronic acid, B-[5-(methylsulfonyl)-3-pyridinyl]-

[5-(methylsulfonyl)pyridin-3-yl]boronic acidBoronicacid, B-[5-(methylsulfonyl)-3-pyridinyl]-(5-METHANESULFONYLPYRIDIN-3-YL)BORONIC ACID(5-methylsulfonyl-3-pyridyl)boronic acidSCHEMBL247773DTXSID50657189YGXNPQDXWDCWET-UHFFFAOYSA-NAKOS015852523

데이터베이스 식별자

CAS: 913836-01-8
PubChem CID: 44119381
DTXSID: DTXSID50657189
EC Number: 685-589-8

물성

구조 계산 물성

극성 표면적: 95.9 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 260

물리화학적 성질

녹는점: 123 · 123-125
끓는 점: 523.8 · 523.8±60.0 °C(Predicted)
밀도: 1.47 · 1.47±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 고체
산도 계수 (pKa): 5.46 · 5.46±0.10(Predicted)
색상: 하얀색
InChI: InChI=1S/C6H8BNO4S/c1-13(11,12)6-2-5(7(9)10)3-8-4-6/h2-4,9-10H,1H3
InChIKey: YGXNPQDXWDCWET-UHFFFAOYSA-N
SMILES: B(C1=CC(S(C)(=O)=O)=CN=C1)(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.