(10-Phenylanthracen-9-yl)boronic acid

HCID 22247164

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Grundinformationen

CAS: 334658-75-2
Standard-SMILES: OB(O)c1c2ccccc2c(-c2ccccc2)c2ccccc12
InChIKey: RVPCPPWNSMAZKR-UHFFFAOYSA-N
Summenformel: C20H15BO2
Durchschnittliche Molmasse: 298,1 g/mol
Monoisotopische Masse: 298,1165099

Namen und Bezeichner

Bevorzugter Name: (10-Phenylanthracen-9-yl)boronic acid
IUPAC: (10-phenylanthracen-9-yl)boronic acid
Englischer Name: (10-Phenylanthracen-9-yl)boronic acid
Summenformel: C20H15BO2
Molmasse: 298.14

Namen und Synonyme

(10-phenylanthracen-9-yl)boronic acid334658-75-2DTXSID90623823RefChem:204698DTXCID80574577805-893-810-Phenyl-9-anthraceneboronic Acid10-Phenyl-9-anthracene boronic acidMFCD1111198910-Phenylantrhacen-9-yl boronic acidBoronic acid, (10-phenyl-9-anthracenyl)-(10-Phenyl-9-anthryl)boronic acid

Weitere Namen anzeigen

(9-Phenylanthracen-10-yl)boronic acid(10-([1,1'-biphenyl]-3-yl)anthracen-9-yl)boronic acid(10-Phenylanthracen-9-Borono-10-phenylanthracene10-phenyl)anthracene -9-boronic(10-Phenylanthracen-9-yl)boronic9-Phenylanthracene-10-boronic acid

(10-phenylanthracen-9-yl)boronicacidSB66521SY022637P198410-Phenylanthracene-9-boronic acidAM20040198A21328SCHEMBL338760

Datenbank-Bezeichner

CAS: 334658-75-2
PubChem CID: 22247164
DTXSID: DTXSID90623823
EC Number: 805-893-8
Nikkaji: J2.700.174B

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 40,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 23
Formalladung: 0
Komplexität: 369

Physikochemische Eigenschaften

Siedepunkt: 521.3 · 521.3±53.0 °C(Predicted)
Dichte: 1.27 · 1.27
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Soluble in methanol.
pka: 8.59 · 8.59±0.30(Predicted)
Aggregatzustand: Solid
Farbe: White to Almost white
InChI: InChI=1S/C20H15BO2/c22-21(23)20-17-12-6-4-10-15(17)19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)20/h1-13,22-23H
InChIKey: RVPCPPWNSMAZKR-UHFFFAOYSA-N
SMILES: B(C1C2=CC=CC=C2C(C2=CC=CC=C2)=C2C=1C=CC=C2)(O)O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 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.