1,1'-Biphenyl-4-yl-boronic acid

HCID 151253

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Grundinformationen

CAS: 5122-94-1
Standard-SMILES: OB(O)c1ccc(-c2ccccc2)cc1
InChIKey: XPEIJWZLPWNNOK-UHFFFAOYSA-N
Summenformel: C12H11BO2
Durchschnittliche Molmasse: 198,03 g/mol
Monoisotopische Masse: 198,08520999

Namen und Bezeichner

Bevorzugter Name: 1,1'-Biphenyl-4-yl-boronic acid
IUPAC: (4-phenylphenyl)boronic acid
Englischer Name: 4-Biphenylboronic acid
Summenformel: C12H11BO2
Molmasse: 198.03

Namen und Synonyme

4-Biphenylboronic acid5122-94-11,1'-Biphenyl-4-yl-boronic acidDTXSID90199230RefChem:409210DTXCID20121721675-084-0[1,1'-biphenyl]-4-ylboronic acid(4-phenylphenyl)boronic acidbiphenyl-4-boronic acid(1,1'-biphenyl-4-yl)boronic acidBiphenylboronic acid

Weitere Namen anzeigen

4-BIPHENYLYLBORONIC ACIDAKOS BRN-00304-BoronobiphenylRARECHEM AH PB 02614-Biphenylboric acid4-Biphenylboronic ac4-Biphenylboronicaci4-Diphenyl Boric Acid

biphenyl-4-ylboronic acid1,1'-biphenyl-4-ylboronic acidMFCD000933114-phenylbenzeneboronic acidboronic acid, [1,1'-biphenyl]-4-yl-(1,1'-Biphenyl)-4-ylboronic acid4-Biphenylboronic acid(contains varying amounts of Anhydride)Boronic acid, (1,1'-biphenyl)-4-yl-

Datenbank-Bezeichner

CAS: 5122-94-1
PubChem CID: 151253
DTXSID: DTXSID90199230
ChEMBL: CHEMBL485742
EC Number: 675-084-0
Nikkaji: J666.430J

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 40,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 15
Formalladung: 0
Komplexität: 182

Physikochemische Eigenschaften

Schmelzpunkt: 232 · 232-245 °C (lit.)
Siedepunkt: 385.5 · 385.5±35.0 °C(Predicted)
Dichte: 1.18 · 1.18±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: soluble in Acetone,Methanol
pka: 8.61 · 8.61±0.10(Predicted)
Aggregatzustand: Powder
Farbe: White
Wasserlöslichkeit: Insoluble in water.
BRN: 2937410 · 2937410
InChI: InChI=1S/C12H11BO2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,14-15H
InChIKey: XPEIJWZLPWNNOK-UHFFFAOYSA-N
SMILES: B(C1=CC=C(C2=CC=CC=C2)C=C1)(O)O
CAS Datenbank: 5122 · 5122-94-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 11 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.