2-Bromo-5-(methylsulfonyl)pyridine

HCID 9899483

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기본 정보

CAS: 343262-51-1
표준 SMILES: CS(=O)(=O)c1ccc(Br)nc1
InChIKey: ZRXQHWYUAIXKRL-UHFFFAOYSA-N
분자식: C6H6BrNO2S
평균 분자량: 236.09 g/mol
단동위원소 질량: 234.93026153

이름 및 식별자

우선 이름: 2-Bromo-5-(methylsulfonyl)pyridine
IUPAC: 2-bromo-5-methylsulfonylpyridine
영어명: 2-Bromo-5-(methylsulfonyl)pyridine
분자식: C6H6BrNO2S
분자량: 236.09

이름 및 동의어

2-BROMO-5-(METHYLSULFONYL)PYRIDINE343262-51-12-Bromo-5-(methanesulfonyl)pyridine2-Bromo-5-(methylsulphonyl)pyridineDTXSID20432546RefChem:466725DTXCID90383374107-219-1608-970-22-bromo-5-methylsulfonylpyridine2-bromo-5-methanesulfonylpyridineMFCD04974509

이름 더 보기

2-BROMO-5-METHANESULFONYL-PYRIDINE6-Bromopyridin-3-yl methyl sulphone2-BROMO-5-(METHYLSULFONYL)PYRIDINE ISO 9001：2015 REACH

Pyridine, 2-bromo-5-(methylsulfonyl)-2-bromo-5-methylsulfonyl-pyridinePyridine,2-bromo-5SCHEMBL564682SCHEMBL300884425-Methylsulfonyl-2-bromopyridine2-bromo-5-methanesulfonyl-pyridinZRXQHWYUAIXKRL-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 343262-51-1
PubChem CID: 9899483
DTXSID: DTXSID20432546
EC Number: 107-219-1、608-970-2

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 55.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 221

물리화학적 성질

끓는 점: 387.7 · 387.7±42.0 °C(Predicted)
밀도: 1.678 · 1.678±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 가루
산도 계수 (pKa): -2.76 · -2.76±0.10(Predicted)
색상: 크림색
InChI: InChI=1S/C6H6BrNO2S/c1-11(9,10)5-2-3-6(7)8-4-5/h2-4H,1H3
InChIKey: ZRXQHWYUAIXKRL-UHFFFAOYSA-N
SMILES: C1(Br)=NC=C(S(C)(=O)=O)C=C1

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]