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2,4-Dimethylaniline-5-sulfonic Acid Sodium Salt Hydrate - ≥95%, high purity , CAS No.64501-84-4

COA

Grade & Purity:

≥95%

Cas Number: 64501-84-4
Molecular Weight: 223.22
MDL number: MFCD00070550
PubChem CID: 23691697

In stock

Item Number

D304268

Grouped product items
SKU	Size	Availability	Price
D304268-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$36.90
D304268-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$88.90
D304268-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$397.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	FT-0712269 \| AKOS027327483 \| SCHEMBL176615 \| AS-81281 \| DTXSID60635650 \| X0030 \| 5-amino-2,4-dimethylbenzenesulfonic acid sodium salt \| SODIUM5-AMINO-2,4-DIMETHYLBENZENESULFONATE \| SB76784 \| m-Xylidine-5-sulfonic Acid Sodium Salt \| ZETYURDDFWHYDN-UHFFFAOY
Specifications & Purity	≥95%
Storage Temp	Room temperature
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	Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds m-Xylenes Aniline and substituted anilines Sulfonyls Organosulfonic acids Primary amines Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	P-methylbenzenesulfonate - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - M-xylene - Xylene - Aniline or substituted anilines - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Organic alkali metal salt - Organic zwitterion - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Primary amine - Organosulfur compound - Organic salt - Hydrocarbon derivative - Organic sodium salt - 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	sodium;5-amino-2,4-dimethylbenzenesulfonate
INCHI	InChI=1S/C8H11NO3S.Na/c1-5-3-6(2)8(4-7(5)9)13(10,11)12;/h3-4H,9H2,1-2H3,(H,10,11,12);/q;+1/p-1
InChIKey	ZETYURDDFWHYDN-UHFFFAOYSA-M
Smiles	CC1=CC(=C(C=C1N)S(=O)(=O)[O-])C.[Na+]
Isomeric SMILES	CC1=CC(=C(C=C1N)S(=O)(=O)[O-])C.[Na+]
Molecular Weight	223.22
Reaxy-Rn	18997574
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18997574&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	223.230 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	223.028 Da
Monoisotopic Mass	223.028 Da
Topological Polar Surface Area	91.600 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	275.000
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	2

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