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m-Toluenesulfonic acid monohydrate - ≥97%, high purity , CAS No.312619-56-0

COA

Grade & Purity:

≥97%

Cas Number: 312619-56-0
Molecular Weight: 190.22
MDL number: MFCD00167130
PubChem CID: 53249652

In stock

Item Number

M770711

Grouped product items
SKU	Size	Availability	Price	Qty
M770711-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$241.90

Basic Description

Specifications & Purity	≥97%
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	Benzenesulfonic acids and derivatives
Alternative Parents	Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Toluenes Sulfonyls Organosulfonic acids Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzenesulfonate - 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 oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - 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	3-methylbenzenesulfonic acid;hydrate
INCHI	InChI=1S/C7H8O3S.H2O/c1-6-3-2-4-7(5-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);1H2
InChIKey	GHLYGGIKYFLYTH-UHFFFAOYSA-N
Smiles	CC1=CC(=CC=C1)S(=O)(=O)O.O
Isomeric SMILES	CC1=CC(=CC=C1)S(=O)(=O)O.O
PubChem CID	53249652
Molecular Weight	190.22

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	190.220 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	190.03 Da
Monoisotopic Mass	190.03 Da
Topological Polar Surface Area	63.800 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	214.000
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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