Biphenyl-2-boronic acid

HCID 4589187CAS 4688-76-0

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Grundinformationen

Standard-SMILES: OB(O)c1ccccc1-c1ccccc1
InChIKey: HYCYKHYFIWHGEX-UHFFFAOYSA-N
Summenformel: C12H11BO2
Durchschnittliche Molmasse: 198,03 g/mol
Monoisotopische Masse: 198,08520999

Namen und Bezeichner

Bevorzugter Name: Biphenyl-2-boronic acid
IUPAC: (2-phenylphenyl)boronic acid
Englischer Name: 2-Biphenylboronic acid
Summenformel: C12H11BO2
Molmasse: 198.03

Namen und Synonyme

Biphenyl-2-boronic acidRefChem:568381670-315-12-Biphenylboronic acid4688-76-0(2-phenylphenyl)boronic Acid[1,1'-biphenyl]-2-ylboronic acid2-BiphenylboronicacidMFCD00136929o-biphenylboronic acid2-PHENYLBENZENEBORONIC ACID1,1'-biphenyl-2-boronic acid

Weitere Namen anzeigen

AKOS BRN-01542-BoronobiphenylTIMTEC-BB SBB005895Biphenylboronic acid2-BIPHENYLBORONIC AC2-BiphenylboronicaciBiphenyl-2-bronic acid2- biphenyl boric acid2-Diphenylboronic acid

BDBM26137DTXSID20404607AB03772AC-1956SY033281Z1255450311biphenyl-2-ylboronic acid(2-Phenylphenyl)Boranediol

Datenbank-Bezeichner

CAS: 4688-76-0
PubChem CID: 4589187
DTXSID: DTXSID20404607
ChEMBL: CHEMBL467355
EC Number: 670-315-1
Nikkaji: J666.429F

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: 190

Physikochemische Eigenschaften

Schmelzpunkt: 167 · 167-172 °C (lit.)
Siedepunkt: 404 · 404.0±38.0 °C(Predicted)
Dichte: 1.18 · 1.18
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: DMSO (Slightly), Methanol (Slightly, Sonicated)
pka: 8.5 · 8.50±0.58(Predicted)
Aggregatzustand: Powder or Low Melting Solid
Farbe: White to yellow
Wasserlöslichkeit: Insoluble in water.
BRN: 3031806 · 3031806
InChI: InChI=1S/C12H11BO2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,14-15H
InChIKey: HYCYKHYFIWHGEX-UHFFFAOYSA-N
SMILES: B(C1=CC=CC=C1C1=CC=CC=C1)(O)O
CAS Datenbank: 4688 · 4688-76-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.