9-Anthraceneboronic Acid

HCID 15510213CAS 100622-34-2

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Grundinformationen

Standard-SMILES: OB(O)c1c2ccccc2cc2ccccc12
InChIKey: VHHDLIWHHXBLBK-UHFFFAOYSA-N
Summenformel: C14H11BO2
Durchschnittliche Molmasse: 222,05 g/mol
Monoisotopische Masse: 222,08520999

Namen und Bezeichner

Bevorzugter Name: 9-Anthraceneboronic Acid
IUPAC: anthracen-9-ylboronic acid
Englischer Name: 9-Anthraceneboronic acid
Summenformel: C14H11BO2
Molmasse: 222.05

Namen und Synonyme

9-anthraceneboronic acidRefChem:549174626-419-4100622-34-2anthracen-9-ylboronic acidAnthracene-9-boronic acid9-Anthracenylboronic acid9-ANTHRYLBORONIC ACIDBoronic acid, B-9-anthracenyl-(anthracen-9-yl)boronic acid9-anthraceneboronicacidMFCD03425925

Weitere Namen anzeigen

DKI84CAS:100622-34-29-Anthracenylboronic9-Anthrylboronicacid9-anthracene-boronic9-Anthraceneboronicl

9-boronoanthracene9-borono-anthraceneDTXSID805735009-Anthraceneboronic acid, >=95.0%SY0322039-Anthracene boronic acid9-Anthraceneboronic Acid (contains varying amounts of Anhydride)Boronic acid, 9-anthracenyl-

Datenbank-Bezeichner

CAS: 100622-34-2
PubChem CID: 15510213
DTXSID: DTXSID80573500
EC Number: 626-419-4
Nikkaji: J1.614.373A

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 40,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 17
Formalladung: 0
Komplexität: 247

Physikochemische Eigenschaften

Schmelzpunkt: 203 · 203-250 °C
Siedepunkt: 479.5 · 479.5±28.0 °C(Predicted)
Dichte: 1.26 · 1.26±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: soluble in Methanol
pka: 8.53 · 8.53±0.30(Predicted)
Aggregatzustand: Crystalline Solid
Farbe: White to tan
BRN: 3301031 · 3301031
InChI: InChI=1S/C14H11BO2/c16-15(17)14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9,16-17H
InChIKey: VHHDLIWHHXBLBK-UHFFFAOYSA-N
SMILES: C1=C2C(C=C3C(=C2)C=CC=C3)=CC=C1B(O)O
CAS Datenbank: 100622 · 100622-34-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (93.2%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 6 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (93.2%)

Sicherheitsdaten

wgk: 3
tsca: No
ridadr: UN 2811 6.1/PG 3
hs_code: 29319090
risk_code: 36/37/38-25
hazard_code: T
safety_code: 26-36-45
hazard_class: 6.1
packing_group: Ⅲ
Speicherklasse: 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
Hazard Classifications: Acute Tox. 3 Oral

Chemie und Industrie

Anwendungen · 2 Einträge

Beschreibung9-Anthraceneboronic acid is a boronic acid compound mainly used as an organic synthesis and reaction reagent. The addition of 9-Anthraceneboronic acid introduces a borate ester bond and an anthracene functional group into ordinary polyvinyl alcohol, which can be used to prepare the composite material poly(vinyl alcohol) anthraceneboronic acid (PVA-ABA), which is suitable for sustainable engineering applications due to its high mechanical strength and toughness, good water resistance, chemical durability, and ease of recycling. It can also be used to prepare stimuli-responsive polymeric materials and highly efficient luminescent materials.

Verwendensuzuki reaction