5-Bromo-2-fluoropyridine-3-boronic Acid (contains varying amounts of Anhydride)

HCID 2783242

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 501435-91-2
표준 SMILES: OB(O)c1cc(Br)cnc1F
InChIKey: YAXKWQSQZIVTFC-UHFFFAOYSA-N
분자식: C5H4BBrFNO2
평균 분자량: 219.81 g/mol
단동위원소 질량: 218.95024909

이름 및 식별자

우선 이름: 5-Bromo-2-fluoropyridine-3-boronic Acid (contains varying amounts of Anhydride)
IUPAC: (5-bromo-2-fluoro-3-pyridinyl)boronic acid
영어명: 5-Bromo-2-fluoro-3-pyridylboronic acid
분자식: C5H4BBrFNO2
분자량: 219.8

이름 및 동의어

5-Bromo-2-fluoropyridine-3-boronic Acid (contains varying amounts of Anhydride)RefChem:533222676-456-5501435-91-25-Bromo-2-fluoropyridine-3-boronic acid(5-bromo-2-fluoropyridin-3-yl)boronic acid5-Bromo-2-fluoro-3-pyridineboronic acid5-Bromo-2-fluoro-3-pyridylboronic acid5-Bromo-2-fluoro-3-pyridylboronicMFCD04039317Boronic acid, (5-bromo-2-fluoro-3-pyridinyl)-5-Bromo-2-fluoro-pyridine-3-boronic acid

이름 더 보기

CAS:501435-91-25-Bromo-2-Fluoropyridine-3-Bor5-Bromo-2-Fluoropyridine-3-BoronicAci5-BROMO-2-FLUOROPYRIDIE-3-BORONIC ACID5-bromo-2-fluoropyridin-3-yl-3-boronic acid

SCHEMBL115740AC-33454EN300-1262842-Fluoro-5-Bromopyridine-3-boronic acid5-bromo-2-fluoropyridin-3-ylboronic acid(5-bromo-2-fluoro-3-pyridyl)boronic acidA827989CHEMBL3236927

데이터베이스 식별자

CAS: 501435-91-2
PubChem CID: 2783242
DTXSID: DTXSID90382529
ChEMBL: CHEMBL3236927
EC Number: 676-456-5
Nikkaji: J1.892.620B

물성

구조 계산 물성

극성 표면적: 53.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 140

물리화학적 성질

녹는점: 300 °C · >300°C
끓는 점: 357.1 · 357.1±52.0 °C(Predicted)
밀도: 1.86 · 1.86±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: powder to crystal
산도 계수 (pKa): 5.7 · 5.70±0.58(Predicted)
색상: 흰색에서 거의 흰색

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.