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o-Toluidine-4-sulfonic Acid Sodium Salt Tetrahydrate - >98.0%(T), high purity , CAS No.63450-43-1

COA

Grade & Purity:

≥98%(T)

Cas Number: 63450-43-1
Molecular Weight: 209.19
MDL number: MFCD00070549
PubChem CID: 23695986

In stock

Item Number

O160044

Grouped product items
SKU	Size	Availability	Price
O160044-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$26.90
O160044-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$95.90
O160044-500g	500g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$149.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	SB78451 \| Sodium o-Toluidine-4-sulfonate \| sodium;4-amino-3-methylbenzenesulfonate \| Monosodium 4-amino-3-methylbenzenesulfonate \| SCHEMBL1365469 \| o-Toluidine-4-sulfonic Acid Sodium Salt \| EC 264-172-0 \| CS-0454389 \| Benzenesulfonic acid, 4-amino-3-methy
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 Aniline and substituted anilines Aminotoluenes Sulfonyls Organosulfonic acids Primary amines Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Aniline or substituted anilines - Aminotoluene - Toluene - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Organic alkali metal salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Primary amine - Organosulfur compound - Organic salt - Organic sodium 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	sodium;4-amino-3-methylbenzenesulfonate
INCHI	InChI=1S/C7H9NO3S.Na/c1-5-4-6(12(9,10)11)2-3-7(5)8;/h2-4H,8H2,1H3,(H,9,10,11);/q;+1/p-1
InChIKey	RVSNUNNCRYLEEM-UHFFFAOYSA-M
Smiles	CC1=C(C=CC(=C1)S(=O)(=O)[O-])N.[Na+]
Isomeric SMILES	CC1=C(C=CC(=C1)S(=O)(=O)[O-])N.[Na+]
RTECS	DB4979000
Molecular Weight	209.19
Reaxy-Rn	35818252
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35818252&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	209.200 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	209.012 Da
Monoisotopic Mass	209.012 Da
Topological Polar Surface Area	91.600 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	249.000
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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