3-(Difluoromethoxy)benzeneboronic acid

HCID 17750069

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Grundinformationen

CAS: 866607-09-2
Standard-SMILES: OB(O)c1cccc(OC(F)F)c1
InChIKey: FGQKXEUNYFZVMW-UHFFFAOYSA-N
Summenformel: C7H7BF2O3
Durchschnittliche Molmasse: 187,94 g/mol
Monoisotopische Masse: 188,0456306

Namen und Bezeichner

Bevorzugter Name: 3-(Difluoromethoxy)benzeneboronic acid
IUPAC: [3-(difluoromethoxy)phenyl]boronic acid
Englischer Name: 3-(Difluoromethoxy)-benzeneboronic acid
Summenformel: C7H7BF2O3
Molmasse: 187.94

Namen und Synonyme

3-(Difluoromethoxy)benzeneboronic acidRefChem:494865640-474-1866607-09-2(3-(Difluoromethoxy)phenyl)boronic acid3-(Difluoromethoxy)phenylboronic acid[3-(difluoromethoxy)phenyl]boronic acid3-(DIFLUOROMETHOXY)-BENZENEBORONIC ACIDMFCD087062821-Borono-3-(difluoromethoxy)benzeneBoronic acid, [3-(difluoromethoxy)phenyl]-SCHEMBL8971

Weitere Namen anzeigen

2-Fluoro-31-(methylthio)pyridineBoronic acid, B-[3-(difluoromethoxy)phenyl]-

B-[3-(DIFLUOROMETHOXY)PHENYL]BORONIC ACIDDTXSID705902213-difluoromethoxybenzeneboronic acid3-difluoromethoxybenzene-boronic acidSBB090670XH0345AKOS009318223(3-(Difluoromethoxy)phenyl)boronicacid

Datenbank-Bezeichner

CAS: 866607-09-2
PubChem CID: 17750069
DTXSID: DTXSID70590221
EC Number: 640-474-1

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 49,7 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 3
Schwere Atome: 13
Formalladung: 0
Komplexität: 157

Physikochemische Eigenschaften

Siedepunkt: 311.1 · 311.1±52.0 °C(Predicted)
Dichte: 1.33 · 1.33±0.1 g/cm3(Predicted)
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
Aggregatzustand: powder
pka: 7 · 7+-.0.10(Predicted)
Farbe: White

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

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