2,7-Dibromocarbazole

HCID 11151503CAS 136630-39-2

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Grundinformationen

Standard-SMILES: Brc1ccc2c(c1)[nH]c1cc(Br)ccc12
InChIKey: QPTWWBLGJZWRAV-UHFFFAOYSA-N
Summenformel: C12H7Br2N
Durchschnittliche Molmasse: 325 g/mol
Monoisotopische Masse: 322,89452342

Überblick

2,7-Dibromocarbazole is a member of biphenyls and a member of bromobenzenes.

Namen und Bezeichner

Bevorzugter Name: 2,7-Dibromocarbazole
IUPAC: 2,7-dibromo-9H-carbazole
Englischer Name: 2,7-Dibromocarbazole
Summenformel: C12H7Br2N
Molmasse: 325

Namen und Synonyme

2,7-dibromo-9H-carbazole2,7-DibromocarbazoleDTXSID70457082RefChem:83408DTXCID70407901679-869-9136630-39-2MFCD09033507C12H7Br2N2,7-Dibromocarbazole;2,7-Dibromocarbazole9H-Carbazole, 2,7-dibromo-SCHEMBL181890

Weitere Namen anzeigen

KFC2-Bromocarbazole-D7CAS:136630-39-22,7-DibromocarbazoL2,7-Dibrom-9H-carbazol2,7-Dibromocarbazole>2,7-Dibromocarbazole,98%

2,7-Dibromocarbazole fandachemorb1296836orb1940077CHEMBL5076872SCHEMBL29397381CHEBI:203771CS-D1703AC-958

Datenbank-Bezeichner

CAS: 136630-39-2
PubChem CID: 11151503
DTXSID: DTXSID70457082
ChEMBL: CHEMBL5076872
ChEBI: CHEBI:203771
EC Number: 679-869-9
Nikkaji: J438.025H

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: 230 to · 230.0 to 234.0 °C
Siedepunkt: 459 · 459.0±25.0 °C(Predicted)
Dichte: 1.93 · 1.930±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
pka: 15.13 · 15.13±0.30(Predicted)
Farbe: White to Light yellow
InChI: InChI=1S/C12H7Br2N/c13-7-1-3-9-10-4-2-8(14)6-12(10)15-11(9)5-7/h1-6,15H
InChIKey: QPTWWBLGJZWRAV-UHFFFAOYSA-N
SMILES: N1C2=C(C=CC(Br)=C2)C2=C1C=C(Br)C=C2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (97.6%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (97.6%)

Sicherheitsdaten

wgk: 3
ridadr: 2811
hs_code: 29339900
risk_code: 25-36/37/38
hazard_code: T
safety_code: 26-45-36/37/39
hazard_class: 6.1
packing_group: Ⅲ
Speicherklasse: 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Beschreibung2,7-dibromocarbazole, also known as 2,7-dibromo-9H-carbazole, is a building block for the synthesis of small molecules of carbazole series or carbazole back-boned polymers in the application of OFETs, OLEDs, PLEDs and OPVs.