Grundinformationen
- Standard-SMILES
Brc1cccc2c1[nH]c1ccccc12- InChIKey
VCDOOGZTWDOHEB-UHFFFAOYSA-N- Summenformel
- C12H8BrN
- Durchschnittliche Molmasse
- 246,1 g/mol
Namen und Bezeichner
- Bevorzugter Name
- 1-Bromo-9H-carbazole
- IUPAC
- 1-bromo-9H-carbazole
- Englischer Name
- 1-Bromo-9H-carbazole
- Summenformel
- C12H8BrN
- Molmasse
- 246.1
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
16807-11-7- PubChem CID
- 11230335
- ChEMBL
CHEMBL5085077- EC Number
- 810-961-5
- Nikkaji
- J1.715.549K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,4
- Polarare Oberfläche (TPSA)
- 15,8 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 218
Physikochemische Eigenschaften
- Schmelzpunkt
- 123 · 123-124℃ (acetic acid )
- Siedepunkt
- 409.2 · 409.2±18.0 °C(Predicted)
- Dichte
- 1.617 · 1.617±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- powder to crystal
- pka
- 16.14 · 16.14±0.30(Predicted)
- Farbe
- White to Light yellow
- InChI
- InChI=1S/C12H8BrN/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h1-7,14H
- InChIKey
- VCDOOGZTWDOHEB-UHFFFAOYSA-N
- SMILES
- N1C2=C(C=CC=C2)C2=C1C(Br)=CC=C2
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Sicherheitsdaten
- hs_code
- 2933998090
Chemie und Industrie
Anwendungen
Verwenden1-Bromo-9H-carbazole is a useful research chemical, mainly used as a pharmaceutical intermediate and an intermediate in organic synthesis.
Darstellung
synthetischeA 1-Bromo-9H-carbazole is synthesized as follows:Under noble gas protection, by 3,6- bis- Tert-butyl carbazole is dissolved in 1,2- dichloroethanes, adds hydrobromic acid, controlling reaction temperature to be slowly added dropwise hydrogen peroxide, dropping is completely Overnight, reactant liquor is washed, and separates organic layer for natural temperature reaction, is dried, and adds methyl alcohol dispersion, obtains the tertiary fourth of bromo- 3, the 6- of 1- bis- Base carbazole;Then 1- bromo- 3,6- di-t-butyl carbazole and isopropanol solvent are added in reaction bulb, controlling reaction temperature slowly adds Enter alchlor reaction, add water after terminating terminating reaction, through extraction, organic layer sodium hydrate aqueous solution is washed, and is dried overnight, concentrate Obtain crude product, methylene chloride-methanol mixed solvent is recrystallized to give product 1-Bromo-9H-carbazole.Production method of 1-bromocarbazole
Anbieter50 Anbieter
Ergänzende Hinweise
Definition1-Bromo-9H-carbazole is a bromide-substitution of carbazole. The carbazole ring system is essentially planar (r.m.s. deviation of 0.024 for the non-H atoms). It is a photoelectric material intermediate and be used to synthesize OLED materials.
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