CAS 1153-85-1 3-Bromo-9-phenylcarbazole (HCID 18942624)

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Grundinformationen

CAS: 1153-85-1
Standard-SMILES: Brc1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIKey: KUBSCXXKQGDPPD-UHFFFAOYSA-N
Summenformel: C18H12BrN
Durchschnittliche Molmasse: 322,2 g/mol
Monoisotopische Masse: 321,01531148

Namen und Bezeichner

Bevorzugter Name: 3-Bromo-9-phenylcarbazole
IUPAC: 3-bromo-9-phenylcarbazole
Englischer Name: 3-bromo-9-phenyl-9H-carbazole
Summenformel: C18H12BrN
Molmasse: 322.2

Namen und Synonyme

3-Bromo-9-phenylcarbazoleRefChem:499158805-770-91153-85-13-bromo-9-phenyl-9H-carbazole3-BROMO-N-PHENYLCARBAZOLE9H-Carbazole, 3-bromo-9-phenyl-MFCD11977305SCHEMBL261514DTXSID70596708AKOS015834707CS-W003820

Weitere Namen anzeigen

PCZ-Br3-Bromo-N-phenyL3-BroMo-N-phenylcarbazolN-Phenyl-3-broMocarbazole3-Bromo-12-phenylcarbazole3-Bromo-11-phenylcarbazole3-Bromo-10-phenylcarbazole

SB66428SY029815B39083-bromo-9-phenyl-carbazoleOL10021FT-06559633-bromanyl-9-phenyl-carbazoleorb1990611

Datenbank-Bezeichner

CAS: 1153-85-1
PubChem CID: 18942624
DTXSID: DTXSID70596708
EC Number: 805-770-9
Nikkaji: J2.275.853E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 5,7
Polarare Oberfläche (TPSA): 4,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 1
Schwere Atome: 20
Formalladung: 0
Komplexität: 338

Physikochemische Eigenschaften

Schmelzpunkt: 98 · 98 ºC
Siedepunkt: 461.7 · 461.7±27.0 °C(Predicted)
Dichte: 1.39 · 1.39
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: Solid
Farbe: White to Almost white
Wasserlöslichkeit: Slightly soluble in water.
InChI: InChI=1S/C18H12BrN/c19-13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14/h1-12H
InChIKey: KUBSCXXKQGDPPD-UHFFFAOYSA-N
SMILES: N1(C2=CC=CC=C2)C2=C(C=CC=C2)C2=C1C=CC(Br)=C2
CAS Datenbank: 1153 · 1153-85-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, 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

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Sicherheitsdaten

hs_code: 2933998090

Chemie und Industrie

Anwendungen · 2 Einträge

Beschreibung3-Bromo-9-phenylcarbazole is a chemical compound used as an intermediate in synthesizing organic compounds. It has applications in material science, such as in developing organic semiconductors and optoelectronic devices. It is used in the manufacturing of OLED materials. Also used as an intermediate for pharmaceuticals. This product should be handled with care due to its potential health hazards, including eye and skin irritation. Proper safety equipment, such as gloves and goggles, should be worn when handling this compound. Storage guidelines include keeping it in a cool, dry place away from sources of heat or ignition.

Verwenden3-bromo-9-phenyl-9H-carbazole is a heterocyclic compound with a bromine functional group that can be used as an organic synthesis intermediate and optoelectronic material. Using 9-phenylcarbazole as the core, it can be used to synthesize starburst carbazoles and their derivatives via a Suzuki cross-coupling reaction. Fluorescence spectroscopy reveals that these compounds exhibit excellent blue fluorescence with a maximum wavelength between 410 and 430 nm.