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Nickel(II) Benzenesulfonate Hexahydrate - >98.0%(T), high purity , CAS No.39819-65-3

COA

Grade & Purity:

≥98%(T)

Cas Number: 39819-65-3
Molecular Weight: 481.11
MDL number: MFCD00070595
PubChem CID: 14325094

In stock

Item Number

N159676

Grouped product items
SKU	Size	Availability	Price	Qty
N159676-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$45.90
N159676-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$175.90

View related series

C-X (non halogen) bonding reaction (132) Element classified compounds (2014)

Basic Description

Synonyms	Benzenesulfonic Acid Nickel(II) Salt \| benzenesulfonate;nickel(2+) \| Nickel(II) Benzenesulfonate \| FT-0739671 \| Benzenesulfonic acid nickel salt \| A919022 \| B0034 \| Nickel bis(benzenesulphonate) \| EINECS 254-642-3 \| D88593 \| nickel(ii) benzenesulfonate he
Specifications & Purity	≥98%(T)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzenesulfonic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzenesulfonic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzenesulfonic acids and derivatives
Alternative Parents	Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Sulfonyls Organosulfonic acids Organic transition metal salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework	Not available
Substituents	Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Organic transition metal salt - Organic oxide - Organosulfur compound - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organic cation - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzenesulfonic acids and derivatives. These are organic compounds containing a sulfonic acid or a derivative thereof that is linked to a benzene 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

IUPAC Name	benzenesulfonate;nickel(2+)
INCHI	InChI=1S/2C6H6O3S.Ni/c27-10(8,9)6-4-2-1-3-5-6;/h21-5H,(H,7,8,9);/q;;+2/p-2
InChIKey	IBVWKDVFDAWRFU-UHFFFAOYSA-L
Smiles	C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-].[Ni+2]
Isomeric SMILES	C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-].[Ni+2]
Molecular Weight	481.11
Reaxy-Rn	3737856
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3737856&ln=

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

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Analytical Chart:

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2 results found

Lot Number	Certificate Type	Date	Item
G2402437	Certificate of Analysis	Jun 06, 2024	N159676
G2402448	Certificate of Analysis	Jun 06, 2024	N159676

Chemical and Physical Properties

Molecular Weight	373.000 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Exact Mass	371.927 Da
Monoisotopic Mass	371.927 Da
Topological Polar Surface Area	131.000 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	170.000
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	3

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