CAS 182344-23-6 4-Fluoro-3-(trifluoromethyl)benzeneboronic acid (HCID 17750051)

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 182344-23-6
Standard-SMILES: OB(O)c1ccc(F)c(C(F)(F)F)c1
InChIKey: GUJYFCBXDUPORN-UHFFFAOYSA-N
Summenformel: C7H5BF4O2
Durchschnittliche Molmasse: 207,92 g/mol
Monoisotopische Masse: 208,0318722

Namen und Bezeichner

Bevorzugter Name: 4-Fluoro-3-(trifluoromethyl)benzeneboronic acid
IUPAC: [4-fluoro-3-(trifluoromethyl)phenyl]boronic acid
Englischer Name: 4-FLUORO-3-(TRIFLUOROMETHYL)PHENYLBORONIC ACID
Summenformel: C7H5BF4O2
Molmasse: 207.92

Namen und Synonyme

4-fluoro-3-(trifluoromethyl)benzeneboronic acidRefChem:523187675-647-0182344-23-64-fluoro-3-(trifluoromethyl)phenylboronic acid[4-fluoro-3-(trifluoromethyl)phenyl]boronic acid(4-fluoro-3-(trifluoromethyl)phenyl)boronic acid4-fluoro-3-trifluoromethylphenylboronic acidMFCD07363787(4-fluoro-3-trifluoromethyl)benzeneboronic acidBoronic acid, B-[4-fluoro-3-(trifluoromethyl)phenyl]-AS-18172

Weitere Namen anzeigen

AKOS BRN-10285-Borono-2-fluorobenzotrifluoride2-Chloro-9-phenyl-1,11-phenanthroline4-Fluoro-(trifluoromethyl)phenylboronic Acid3-TRIFLUOROMETHYL-4-FLUORO-PHENYLBORONIC ACID4-fluoro-3-(trifluoromethyl)phenyl]boronicaci4-Fluoro-3-(trifluoromethyl)benzeneboronicacid98%4-Fluoro-3-(trifluoromethyl)benzeneboronic acid 98%

BP-12125SY0174684-fluoro-3-(trifluoromethyl) phenylboronic acidZ784890202Boronic acid, [4-fluoro-3-(trifluoromethyl)phenyl]-BCP05478AM200609733-(Trifluoromethyl)-4-fluorophenylboronic acid

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 40,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 197

Physikochemische Eigenschaften

Schmelzpunkt: 170 · 170-174
Siedepunkt: 268.7 · 268.7±50.0 °C(Predicted)
Dichte: 1.503 g/cm3 · 1.503 g/cm3
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Soluble in methabnol.
Aggregatzustand: powder to crystal
pka: 7 · 7+-.0.10(Predicted)
Farbe: White to Almost white
CAS Datenbank: 182344 · 182344-23-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (11.1%): 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 (88.9%): 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 9 reports by companies from 5 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.