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Dibenzothiophene-2-carboxaldehyde - 98%, high purity , CAS No.22099-23-6

COA

Grade & Purity:

≥98%

Cas Number: 22099-23-6
Molecular Weight: 212.27
MDL number: MFCD02251670
PubChem CID: 641360
PubChem SID: 488190921

In stock

Item Number

D155647

Grouped product items
SKU	Size	Availability	Price
D155647-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$15.90
D155647-250mg	250mg	6	$30.90
D155647-1g	1g	6	$94.90
D155647-5g	5g	5	$325.90

View related series

Five-Membered Heterocyclic Compounds (2064) thiophenes (401)

Basic Description

Synonyms	Z1509539328 \| D4777 \| InChI=1/C13H8OS/c14-8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)15-13/h1-8 \| dibenzo[b,d]thiophene-2-carbaldehyde \| XAA09923 \| EN300-705910 \| Dibenzothiophene-2-carboxaldehyde \| 8-thiatricyclo[7.4.0.0?,?]trideca-1(9),2(7),3,5,10,12-hexaene-4-
Specifications & Purity	≥98%
Storage Temp	Argon charged
Shipped In	Normal

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 Aryl-aldehydes Benzenoids Thiophenes Heteroaromatic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Dibenzothiophene - 1-benzothiophene - Aryl-aldehyde - Benzenoid - Heteroaromatic compound - Thiophene - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - 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	488190921
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488190921
IUPAC Name	dibenzothiophene-2-carbaldehyde
INCHI	InChI=1S/C13H8OS/c14-8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)15-13/h1-8H
InChIKey	QFGXAEFJJINHAI-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)C3=C(S2)C=CC(=C3)C=O
Isomeric SMILES	C1=CC=C2C(=C1)C3=C(S2)C=CC(=C3)C=O
Molecular Weight	212.27
Reaxy-Rn	1343857
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1343857&ln=

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

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Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
J2430596	Certificate of Analysis	Jun 17, 2024	D155647
D2315515	Certificate of Analysis	Mar 08, 2023	D155647
D2315527	Certificate of Analysis	Mar 08, 2023	D155647
D2317455	Certificate of Analysis	Mar 08, 2023	D155647
D2315535	Certificate of Analysis	Mar 08, 2023	D155647
D2315529	Certificate of Analysis	Mar 08, 2023	D155647

Chemical and Physical Properties

Sensitivity	Air Sensitive
Melt Point(°C)	107 °C
Molecular Weight	212.270 g/mol
XLogP3	3.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	212.03 Da
Monoisotopic Mass	212.03 Da
Topological Polar Surface Area	45.300 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	253.000
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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