5-Fluoro-2-hydroxyphenylboronic acid

HCID 3772476

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 259209-20-6
표준 SMILES: OB(O)c1cc(F)ccc1O
InChIKey: TWDQSJDFXUMAOI-UHFFFAOYSA-N
분자식: C6H6BFO3
평균 분자량: 155.92 g/mol
단동위원소 질량: 156.0394024

이름 및 식별자

우선 이름: 5-Fluoro-2-hydroxyphenylboronic acid
IUPAC: (5-fluoro-2-hydroxyphenyl)boronic acid
영어명: 4-Fluoro-2-hydroxyphenylboronic acid
분자식: C6H6BFO3
분자량: 155.92

이름 및 동의어

259209-20-65-Fluoro-2-hydroxyphenylboronic acidDTXSID80396211RefChem:303145DTXCID70347070675-643-9(5-fluoro-2-hydroxyphenyl)boronic acid5-fluoro-2-hydroxybenzeneboronic acidMFCD03095357(5-fluoro-2-hydroxy-phenyl)boronic AcidBoronic acid, B-(5-fluoro-2-hydroxyphenyl)-(5-fluoro-2-hydroxy)phenylboronic acid

이름 더 보기

CAS:259209-20-6uoro-2-hydroxyphenyL2-Borono-4-fluorophenol(5-Fluoro-2-hydroxyphenyl)4-Fluoro-2-hydroxyphenylboronic acid4-FLUORO-2-HYDROXYBENZENEBORONIC ACID5-Fluoro-2-hydroxybenzeneboronicacid97%

Boronic acid, (5-fluoro-2-hydroxyphenyl)-2-hydroxy-5-fluorophenylboronic acidSCHEMBL319589SCHEMBL30586687TWDQSJDFXUMAOI-UHFFFAOYSA-NSBB071279(5-fluoro-2-hydroxyphenyl)boronicacid2-hydroxy-5-fluorophenyl-boronic acid

데이터베이스 식별자

CAS: 259209-20-6
PubChem CID: 3772476
DTXSID: DTXSID80396211
EC Number: 675-643-9
Nikkaji: J3.290.651F

물성

구조 계산 물성

극성 표면적: 60.7 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 133

물리화학적 성질

녹는점: 160 · 160-166°C
끓는 점: 347.1 · 347.1±52.0 °C(Predicted)
밀도: 1.42 · 1.42±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 7.58 · 7.58±0.58(Predicted)
색상: 흰색에서 거의 흰색

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.