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Bis(sulfur Dioxide)-1,4-diazabicyclo[2.2.2]octane Adduct - 95% , high purity , CAS No.119752-83-9

COA

Grade & Purity:

≥95%

Cas Number: 119752-83-9
Molecular Weight: 240.3
PubChem CID: 75176251

In stock

Item Number

D166360

Grouped product items
SKU	Size	Availability	Price
D166360-1g	1g	1	$37.90
D166360-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$125.90
D166360-25g	25g	1	$564.90

View related series

C-X (non halogen) bonding reaction (132)

Basic Description

Synonyms	1,4(c)\\diazabicyclo[2.2.2]octane(c)\\1,4(c)\\diium(c)\\1,4(c)\\disulfinate \| 1,4-Diazabicyclo[2.2.2]octane bis(sulfur dioxide) \| SY099324 \| EN300-321062 \| 1,4-Diazabicyclo[2.2.2]octane-1,4-diium-1,4-disulfinate \| AMY34553 \| Z2689031572 \| 1,4-Diazoniabicy
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	1,4-Diazabicyclo[2.2.2]octane bis(sulfur dioxide) (DABSO) is a charge transfer complex that can be used as a sulfur dioxide surrogate: · In palladium-catalyzed aminosulfonylation process. · In reaction with aryl bromides to synthesize sodium aryl sulfinates. It can also be used to activate DMSO and o-vinylanilines for the synthesis of N-aryl-1H-benzo[d]imidazol-1-amine and 4-aryl quinolines, respectively

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazinanes
    - Subclass Piperazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazinanes
Subclass	Piperazines
Intermediate Tree Nodes	Not available
Direct Parent	N-alkylpiperazines
Alternative Parents	Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	N-alkylpiperazine - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as n-alkylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an alkyl group.
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

IUPAC Name	1,4-diazoniabicyclo[2.2.2]octane-1,4-disulfinate
INCHI	InChI=1S/C6H12N2O4S2/c9-13(10)7-1-2-8(5-3-7,6-4-7)14(11)12/h1-6H2
InChIKey	RWISEVUOFYXWFO-UHFFFAOYSA-N
Smiles	C1C[N+]2(CC[N+]1(CC2)S(=O)[O-])S(=O)[O-]
Isomeric SMILES	C1C[N+]2(CC[N+]1(CC2)S(=O)[O-])S(=O)[O-]
WGK Germany	3
Molecular Weight	240.3
Reaxy-Rn	21980336
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21980336&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot Number	Certificate Type	Date	Item
K2117704	Certificate of Analysis	Sep 14, 2023	D166360
K2117705	Certificate of Analysis	Sep 14, 2023	D166360
J2409209	Certificate of Analysis	Sep 12, 2023	D166360
J2326299	Certificate of Analysis	Sep 12, 2023	D166360
J2326295	Certificate of Analysis	Sep 12, 2023	D166360
J2326296	Certificate of Analysis	Sep 12, 2023	D166360

Chemical and Physical Properties

Solubility	Soluble in water
Sensitivity	air and heat and moisture sensitive
Melt Point(°C)	180 °C
Molecular Weight	240.300 g/mol
XLogP3	-2.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Exact Mass	240.024 Da
Monoisotopic Mass	240.024 Da
Topological Polar Surface Area	119.000 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	243.000
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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