(2-(Difluoromethyl)phenyl)boronic acid

HCID 44717243CAS 879275-70-4

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: OB(O)c1ccccc1C(F)F
InChIKey: RTUHFDBTYFIWMU-UHFFFAOYSA-N
Summenformel: C7H7BF2O2
Durchschnittliche Molmasse: 171,94 g/mol
Monoisotopische Masse: 172,050716

Namen und Bezeichner

Bevorzugter Name: (2-(Difluoromethyl)phenyl)boronic acid
IUPAC: [2-(difluoromethyl)phenyl]boronic acid
Englischer Name: 2-Difluoromethyl-phenylboronic acid
Summenformel: C7H7BF2O2
Molmasse: 171.94

Namen und Synonyme

879275-70-4(2-(difluoromethyl)phenyl)boronic acid[2-(difluoromethyl)phenyl]boronic acidDTXSID90660132RefChem:205680DTXCID60610881836-337-22-Difluoromethyl-phenylboronic acid2-(difluoromethyl)phenylboronic acidMFCD09864669Boronic acid,B-[2-(difluoromethyl)phenyl]-2-Difluoromethylphenylboronic acid

Weitere Namen anzeigen

Boronic acid, B-[2-(difluoromethyl)phenyl]-2-Difluoromethyl-phenylboronic acid ISO 9001：2015 REACH

SCHEMBL4013443SCHEMBL29951757TQU0171SBB088559(2-(difluoromethyl)phenyl)boronicacid2-(Difluoromethyl)benzeneboronic acidAKOS015852890CS-W000091

Datenbank-Bezeichner

CAS: 879275-70-4
PubChem CID: 44717243
DTXSID: DTXSID90660132
EC Number: 836-337-2

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 40,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 12
Formalladung: 0
Komplexität: 143

Physikochemische Eigenschaften

Siedepunkt: 301.1 · 301.1±52.0 °C(Predicted)
Dichte: 1.27 · 1.27±0.1 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: 8.25 · 8.25±0.58(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): 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 (100%): 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.