9-Bromo-10-phenyl-anthracene

HCID 4155836CAS 23674-20-6

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Grundinformationen

Standard-SMILES: Brc1c2ccccc2c(-c2ccccc2)c2ccccc12
InChIKey: WHGGVVHVBFMGSG-UHFFFAOYSA-N
Summenformel: C20H13Br
Durchschnittliche Molmasse: 333,2 g/mol
Monoisotopische Masse: 332,02006252

Namen und Bezeichner

Bevorzugter Name: 9-Bromo-10-phenyl-anthracene
IUPAC: 9-bromo-10-phenylanthracene
Englischer Name: 9-Bromo-10-phenylanthracene
Summenformel: C20H13Br
Molmasse: 333.22

Namen und Synonyme

9-bromo-10-phenyl-anthraceneRefChem:549246621-755-89-bromo-10-phenylanthracene23674-20-6Anthracene, 9-bromo-10-phenyl-10-bromo-9-phenylanthraceneMFCD00230983C20H13Br9-bromo10-phenylanthracene9-Phenyl-10-bromanthracen9-bromo-10-(phenyl)anthracene

Weitere Namen anzeigen

9-Bromo-10-phenylAfatinib/Afatinib9-Bromo-10-phenylant9-bromo-10-phenylindole9-Bromo-1-phenylanthracene10-phenyl-9-BroMoanthracene9-bromo-10-phenylanthranceneAnthracene, 9-Bromo-10-phenyl

Anthracene, 9-Bromo-10-phenyl;9-Bromo-10-phenylanthraceneAMY8613SCHEMBL295397SCHEMBL2587092SCHEMBL27807385SCHEMBL30396122DTXSID60400022AKOS015912825

Datenbank-Bezeichner

CAS: 23674-20-6
PubChem CID: 4155836
DTXSID: DTXSID60400022
EC Number: 621-755-8
Nikkaji: J548.828A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 6,7
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 1
Schwere Atome: 21
Formalladung: 0
Komplexität: 322

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesAngular frequency

Physikochemische Eigenschaften

Schmelzpunkt: 154 · 154-155 °C
Siedepunkt: 449.7 · 449.7±14.0 °C(Predicted)
Dichte: 1.393 · 1.393
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform, Methanol (Slightly)
Aggregatzustand: Powder
Farbe: Pale yellow
Wasserlöslichkeit: Insoluble in water. Soluble in hot toluene, dimethylformamide.
InChI: InChI=1S/C20H13Br/c21-20-17-12-6-4-10-15(17)19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)20/h1-13H
InChIKey: WHGGVVHVBFMGSG-UHFFFAOYSA-N
SMILES: C1=C2C(C(C3=CC=CC=C3)=C3C(=C2Br)C=CC=C3)=CC=C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (97.5%)

Sicherheitsdaten

hs_code: 29039990
safety_code: 24/25

Chemie und Industrie

Anwendungen · 2 Einträge

Beschreibung9-Bromo-10-phenylanthracene is a yellow-white solid powder that is commonly used as an organic synthesis intermediate.It is not soluble in water but can dissolve in dimethyl sulfoxide, N,N-dimethylformamide, and other polar solvents. It is also soluble in hot non-polar solvents due to its low polarity.

VerwendenIt is used as an OLED material.

Darstellung · 1 Eintrag

synthetische9-Phenylanthracene (2.5g, 9.83mmol) and NBS (2.1g, 11.8mmol) were dissolved in 80mL CHCl3. Then the mixture was heated to 60°C for 2h under N2. After cooled to room temperature, 20 mL water was added. And the mixture was extracted with CH2Cl2. The organic extracts were dried over anhydrous MgSO4 and concentrated by rotary evaporation.The crude product was recrystallized from methanol to get a green-yellow powder (2g, 61.2%). 1H NMR (500 MHz, CDCl3) δ 8.67 – 8.61 (m, 2H), 7.71 – 7.65 (m, 2H), 7.64 – 7.56 (m, 5H), 7.45 – 7.37 (m, 4H). EI-MS (m/z): Calculated for C20H13Br: 333.22. Found [M+]: 332.30. Synthesis of 9-bromo-10-phenylanthracene