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Zinc p-toluenesulfonate xhydrate - ≥98%, high purity , CAS No.123334-05-4

COA

Grade & Purity:

≥98%

Cas Number: 123334-05-4
Molecular Weight: 425.8
MDL number: MFCD00151013
PubChem CID: 16212267

In stock

Item Number

Z770313

Grouped product items
SKU	Size	Availability	Price	Qty
Z770313-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$13.90
Z770313-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$19.90

Basic Description

Specifications & Purity	≥98%
Storage Temp	Room temperature,Argon charged
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	p-Methylbenzenesulfonates
Alternative Parents	Tosyl compounds Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Sulfonyls Organosulfonic acids Organic transition metal salts Organic oxides Hydrocarbon derivatives
Molecular Framework	Not available
Substituents	P-methylbenzenesulfonate - Tosyl compound - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Toluene - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic transition metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organosulfur compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as p-methylbenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a methyl group at the para- position.
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	zinc;4-methylbenzenesulfonate;hydrate
INCHI	InChI=1S/2C7H8O3S.H2O.Zn/c21-6-2-4-7(5-3-6)11(8,9)10;;/h22-5H,1H3,(H,8,9,10);1H2;/q;;;+2/p-2
InChIKey	JCOXFVWERPVZPB-UHFFFAOYSA-L
Smiles	CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].O.[Zn+2]
Isomeric SMILES	CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].O.[Zn+2]
PubChem CID	16212267
Molecular Weight	425.8

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	425.800 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	0
Exact Mass	423.963 Da
Monoisotopic Mass	423.963 Da
Topological Polar Surface Area	132.000 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	193.000
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	4

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