9-Bromo-10-phenyl-anthracene
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Grundinformationen
- CAS
23674-20-6- 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 StruktureigenschaftenWird ergänzt
- XLogP
- 6,7
- Polarare Oberfläche (TPSA)
- 0 Ų
- 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
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
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
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
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
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