Grundinformationen
- Standard-SMILES
Brc1cccc2c1oc1ccccc12- InChIKey
DYTYBRPMNQQFFL-UHFFFAOYSA-N- Summenformel
- C12H7BrO
- Durchschnittliche Molmasse
- 247,09 g/mol
- Monoisotopische Masse
- 245,96803
Namen und Bezeichner
- Bevorzugter Name
- 4-Bromodibenzo[b,d]furan
- IUPAC
- 4-bromodibenzofuran
- Englischer Name
- 4-BROMODIBENZOFURAN
- Summenformel
- C12H7BrO
- Molmasse
- 247.09
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
89827-45-2- PubChem CID
- 458256
- DTXSID
DTXSID80332492- EC Number
- 804-402-4
- Nikkaji
- J1.984.010G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,8
- Polarare Oberfläche (TPSA)
- 13,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 218
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 67 · 67-69℃
- Siedepunkt
- 220 °C · 220 °C(Press: 40 Torr)
- Dichte
- 1.577 · 1.577
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- powder to crystal
- Farbe
- White to Light yellow
- InChI
- InChI=1S/C12H7BrO/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h1-7H
- InChIKey
- DYTYBRPMNQQFFL-UHFFFAOYSA-N
- SMILES
- O1C2=CC=CC=C2C2=CC=CC(Br)=C12
- CAS Datenbank
- 89827 · 89827-45-2
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral];H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H413 (97.6%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
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 42 reports by companies from 3 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.
Gefahrenhinweise
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29329990
- risk_code
- 22-36-53
- hazard_code
- Xn
- safety_code
- 26
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 4Eye Irrit. 2
Chemie und Industrie
Anwendungen
VerwendenVersatile scaffold to get entry to 4-substituted dibenzofuranes. Substituted dibenzofuranes have utility in semiconductors and OLED applications.
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