22439-61-8

Basic information

• Product Name: 2-BROMODIBENZOTHIOPHENE
• Synonyms: 2-BROMODIBENZOTHIOPHENE;2-broModibenzo[b,d]thiophene;NSC 172586;2-BroModibenzothiophene/ 2-BroModibenzothiophene;Dibenzothiophene,2-bromo-
• CAS NO: 22439-61-8
• Molecular Formula: C₁₂H₇BrS
• Molecular Weight: 263.15
• EINECS: 1308068-626-2
• Product Categories: OLED
• Mol File: 22439-61-8.mol
• Article Data: 2

Chemical Properties

• Melting Point: 250-252℃
• Boiling Point: 387℃
• Flash Point: 188℃
• Appearance: /
• Density: 1.611
• Vapor Pressure: 7.78E-06mmHg at 25°C
• Refractive Index: 1.772
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: DMSO (Sparingly), Ethyl Acetate (Slightly)
• Water Solubility: Slightly soluble in water.
• CAS DataBase Reference: 2-BROMODIBENZOTHIOPHENE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-BROMODIBENZOTHIOPHENE(22439-61-8)
• EPA Substance Registry System: 2-BROMODIBENZOTHIOPHENE(22439-61-8)

Safety Data

• Safety Statements: 24/25
• Hazardous Substances Data: 22439-61-8(Hazardous Substances Data)

Usage

Chemical Properties

White solid

Uses

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

InChI:InChI=1/C12H7BrS/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7H

Upstream product

• 62986-54-3 2-bromodibenzo[b,d]thiophene 5-oxide 
• 132-65-0 dibenzothiophene 

Downstream Products

• 53904-86-2 2-methoxydibenzo[b,d]thiophene 5,5-dioxide 
• 98802-78-9 2-phenyldibenzo[b,d]thiophene 5,5-dioxide 

Relevant articles and documents

Photochemistry and photophysics of halogen-substituted dibenzothiophene oxides

Dibenzothiophene-5-oxide (DBTO) cleanly produces dibenzothiophene (DBT) on direct photolysis, but with very low quantum yield. A proposed mechanism involves scission of the S-O bond which is coupled to an intersystem crossing step, thus producing the sulfide and O(3P) via a unimolecular pathway. To test this hypothesis, heavy atom substituted DBTOs were prepared and photolyzed. Iodo-, bromo-, and chloro-substituted DBTOs show higher quantum yields for deoxygenation than does the parent molecule, in the order consistent with an intersystem crossing-related heavy atom effect. 2-Iododibenzothiophene also undergoes photochemical deiodination. Phosphorescence data are consistent with heavy-atom assisted intersystem crossing.