2-Bromodibenzothiophene

HCID 299508CAS 22439-61-8

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Grundinformationen

Standard-SMILES: Brc1ccc2sc3ccccc3c2c1
InChIKey: IJICRIUYZZESMW-UHFFFAOYSA-N
Summenformel: C12H7BrS
Durchschnittliche Molmasse: 263,15 g/mol
Monoisotopische Masse: 261,94518332

Namen und Bezeichner

Bevorzugter Name: 2-Bromodibenzothiophene
IUPAC: 2-bromodibenzothiophene
Englischer Name: 2-Bromodibenzothiophene
Summenformel: C12H7BrS
Molmasse: 263.15

Namen und Synonyme

2-BromodibenzothiopheneDTXSID80305909RefChem:467240DTXCID20257039891-396-122439-61-82-Bromodibenzo[b,d]thiophene2-bromo-dibenzothiopheneMFCD00089285Dibenzothiophene, 2-bromo-2-bromobenzo[b]benzo[b]thiopheneNSC172586

Weitere Namen anzeigen

DBT-Brc2-DCDT-ANSC 1725862-BromdibenzothiopheneDibenzothiophene,2-bromo-2-Bromodibenzothiophene >2-Bromodibenzothiophene in isooctane2-BROMODIBENZOTHIOPHENE ISO 9001：2015 REACH

SCHEMBL266852-bromo-dibenzo[b,d]thiophene2-Bromodibenzothiophene; NSC 1725862-BROMODIbenzo[b]thiophenedibenzo[b,d]tSCHEMBL29536667dibenzo[b,d]thiophene, 2-bromo-AKOS003618271

Datenbank-Bezeichner

CAS: 22439-61-8
PubChem CID: 299508
DTXSID: DTXSID80305909
EC Number: 891-396-1
Nikkaji: J467.073F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 5,1
Polarare Oberfläche (TPSA): 28,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 14
Formalladung: 0
Komplexität: 218

Physikochemische Eigenschaften

Schmelzpunkt: 250 · 250-252℃
Siedepunkt: 387 ℃ · 387℃
Dichte: 1.611 · 1.611
Flammpunkt: 188 ℃ · 188℃
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: DMSO (Sparingly), Ethyl Acetate (Slightly)
Aggregatzustand: Solid
Farbe: White to Off-White
Wasserlöslichkeit: Slightly soluble in water.
InChI: InChI=1S/C12H7BrS/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7H
InChIKey: IJICRIUYZZESMW-UHFFFAOYSA-N
SMILES: C12=CC=C(Br)C=C1C1=CC=CC=C1S2

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 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 CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

hs_code: 29309090
safety_code: 24/25

Chemie und Industrie

Anwendungen · 2 Einträge

VerwendenUsed as intermediate for organic light-emitting diode(OLED) materials and pharmaceutical.

Verwenden2-BROMODIBENZOTHIOPHENE can be used as an intermediate to synthesize organic semiconductor molecules. It is mainly used to synthesize devices used in OLED, OFET and OPV. It can also be used as a raw material and pharmaceutical intermediate in drug discovery and industrial production synthesis. For example, new N-substituted dibenzothiophene derivatives are synthesized by conjugation with primary or secondary amines[1-2].