5-Fluoro-2-hydroxyphenylboronic acid

HCID 3772476

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Grundinformationen

CAS: 259209-20-6
Standard-SMILES: OB(O)c1cc(F)ccc1O
InChIKey: TWDQSJDFXUMAOI-UHFFFAOYSA-N
Summenformel: C6H6BFO3
Durchschnittliche Molmasse: 155,92 g/mol
Monoisotopische Masse: 156,0394024

Namen und Bezeichner

Bevorzugter Name: 5-Fluoro-2-hydroxyphenylboronic acid
IUPAC: (5-fluoro-2-hydroxyphenyl)boronic acid
Englischer Name: 4-Fluoro-2-hydroxyphenylboronic acid
Summenformel: C6H6BFO3
Molmasse: 155.92

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 60,7 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 133

Physikochemische Eigenschaften

Schmelzpunkt: 160 · 160-166°C
Siedepunkt: 347.1 · 347.1±52.0 °C(Predicted)
Dichte: 1.42 · 1.42±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
pka: 7.58 · 7.58±0.58(Predicted)
Farbe: White to Almost white
CAS Datenbank: 259209 · 259209-20-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.