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2-Bromodibenzothiophene - 99%, high purity , CAS No.22439-61-8

COA

Grade & Purity:

≥99%

Cas Number: 22439-61-8
Molecular Weight: 263.15
Beilstein Registry Number: 17(5)2,246
MDL number: MFCD00089285
PubChem CID: 299508
PubChem SID: 504758383

In stock

Item Number

B398441

Grouped product items
SKU	Size	Availability	Price
B398441-5g	5g	3	$137.90
B398441-25g	25g	3	$494.90
B398441-100g	100g	1	$1,373.90

Basic Description

Synonyms	2-Bromodibenzothiophene \| 22439-61-8 \| 2-Bromodibenzo[b,d]thiophene \| 2-bromo-dibenzothiophene \| MFCD00089285 \| Dibenzothiophene, 2-bromo- \| 2-bromobenzo[b]benzo[b]thiophene \| NSC172586 \| 2-BROMODIbenzo[b]thiophene \| SCHEMBL26685 \| 2-bromo-dibenzo[b,d]thiophene \| dibenzo[b,d]t
Specifications & Purity	≥99%
Storage Temp	Room temperature
Shipped In	Normal
Product Description	Used as intermediate for organic light-emitting diode(OLED) materials and pharmaceutical.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzothiophenes
    - Subclass Dibenzothiophenes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzothiophenes
Subclass	Dibenzothiophenes
Intermediate Tree Nodes	Not available
Direct Parent	Dibenzothiophenes
Alternative Parents	1-benzothiophenes Benzenoids Aryl bromides Thiophenes Heteroaromatic compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Dibenzothiophene - 1-benzothiophene - Benzenoid - Aryl halide - Aryl bromide - Heteroaromatic compound - Thiophene - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as dibenzothiophenes. These are organic heterocyclic compounds with a structure containing a dibenzothiophene moiety, made up of two benzene rings fused to a central thiophene ring.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504758383
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504758383
IUPAC Name	2-bromodibenzothiophene
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	C1=CC=C2C(=C1)C3=C(S2)C=CC(=C3)Br
Isomeric SMILES	C1=CC=C2C(=C1)C3=C(S2)C=CC(=C3)Br
Molecular Weight	263.15
Beilstein	17(5)2,246
Reaxy-Rn	142203
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=142203&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
F2302963	Certificate of Analysis	May 30, 2022	B398441
F2302958	Certificate of Analysis	May 30, 2022	B398441
F2220248	Certificate of Analysis	May 30, 2022	B398441
F2220303	Certificate of Analysis	May 30, 2022	B398441
F2220229	Certificate of Analysis	May 30, 2022	B398441

Chemical and Physical Properties

Solubility	Slightly soluble in water.
Flash Point(°C)	188 ºC
Boil Point(°C)	387 ºC
Melt Point(°C)	123.0-129.0 °C
Molecular Weight	263.150 g/mol
XLogP3	5.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	261.945 Da
Monoisotopic Mass	261.945 Da
Topological Polar Surface Area	28.200 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	218.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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