3,6-Dibromocarbazole

HCID 274874CAS 6825-20-3

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Grundinformationen

Standard-SMILES: Brc1ccc2[nH]c3ccc(Br)cc3c2c1
InChIKey: FIHILUSWISKVSR-UHFFFAOYSA-N
Summenformel: C12H7Br2N
Durchschnittliche Molmasse: 325 g/mol
Monoisotopische Masse: 322,89452342

Überblick

3,6-Dibromocarbazole is a member of biphenyls and a member of bromobenzenes.

Namen und Bezeichner

Bevorzugter Name: 3,6-Dibromocarbazole
IUPAC: 3,6-dibromo-9H-carbazole
Englischer Name: 3,6-Dibromocarbazole
Summenformel: C12H7Br2N
Molmasse: 325

Namen und Synonyme

3,6-Dibromocarbazole3,6-Dibromo-9H-carbazoleDTXSID60298163RefChem:487507DTXCID90249300629-373-36825-20-39H-Carbazole, 3,6-dibromo-MFCD000049613,6-dibromo-carbazoleSCHEMBL38602AKOS003653993

Weitere Namen anzeigen

DibroMocarbazole3,6-DIBROMOCARBAZOLE, TECH., 90%M8250PDS5203-17123,6-Dibromocarbamole3,6-Dibromo-9H-carbazol3,6-Dibromocarbazole>9-H-3,6-Dibromocarbazole

CS-W009870HY-W009154FD14043GS-4404AC-28756SY0303039-H-3,6-Dibromocarbazoledoi:10.14272/FIHILUSWISKVSR-UHFFFAOYSA-N.2

Datenbank-Bezeichner

CAS: 6825-20-3
PubChem CID: 274874
DTXSID: DTXSID60298163
ChEMBL: CHEMBL5075756
ChEBI: CHEBI:201173
EC Number: 629-373-3
Nikkaji: J81.276E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,8
Polarare Oberfläche (TPSA): 15,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 0
Schwere Atome: 15
Formalladung: 0
Komplexität: 222

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesChemical shift

Physikochemische Eigenschaften

Schmelzpunkt: 204 · 204-206 °C (lit.)
Siedepunkt: 459 · 459.0±25.0 °C(Predicted)
Dichte: 1.93 · 1.930±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: Soluble in benzene, chloroform
pka: 15.47 · 15.47±0.30(Predicted)
Aggregatzustand: Crystalline Powder
Farbe: Tan
Stabilität: Stable. Combustible. Incompatible with strong oxidizing agents.
InChI: InChI=1S/C12H7Br2N/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6,15H
InChIKey: FIHILUSWISKVSR-UHFFFAOYSA-N
SMILES: N1C2=C(C=C(Br)C=C2)C2=C1C=CC(Br)=C2
CAS Datenbank: 6825 · 6825-20-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29339900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden3,6-Dibromocarbazole is used as a pharmaceutical intermediate and also an essential intermediate for synthesizing optoelectronic materials. It is the essential intermediate of synthesis of N-alkylation bromo carbazole compounds and is used to prepare N-(2-hydroxyethyl)-3,6-dibromocarbazole. The synthetic method at present has a potassium Bromide and potassium bromate hybrid system, the chloranil dehydriding of diazonium salt method, the sulfonation method, the BNS method, and the bromine bromination method.