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2-Methyl-4-(methylsulfonyl)benzoic acid - 95%, high purity , CAS No.118939-09-6

COA

Grade & Purity:

≥95%

Cas Number: 118939-09-6
Molecular Weight: 214.2
PubChem CID: 14254473

In stock

Item Number

M179986

Grouped product items
SKU	Size	Availability	Price
M179986-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$23.90
M179986-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$78.90
M179986-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$325.90

Discover 2-Methyl-4-(methylsulfonyl)benzoic acid by Aladdin Scientific in 95% for only $23.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	2-METHYL-4-(METHYLSULFONYL)BENZOIC ACID \| 118939-09-6 \| 2-methyl-4-methylsulfonylbenzoic acid \| 2-Methyl-4-(methylsulfonyl)benzoicAcid \| MFCD12828709 \| Benzoic acid, 2-methyl-4-(methylsulfonyl)- \| SCHEMBL1017780 \| WEKZLBGODVDBBZ-UHFFFAOYSA-N \| DTXSID501281149 \| AKOS0221835
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 Benzenesulfonyl compounds

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzenesulfonyl compounds
Intermediate Tree Nodes	Not available
Direct Parent	Benzenesulfonyl compounds
Alternative Parents	Benzoic acids Benzoyl derivatives Toluenes Sulfones Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzenesulfonyl group - Benzoic acid - Benzoic acid or derivatives - Benzoyl - Toluene - Sulfonyl - Sulfone - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl group.
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	2-methyl-4-methylsulfonylbenzoic acid
INCHI	InChI=1S/C9H10O4S/c1-6-5-7(14(2,12)13)3-4-8(6)9(10)11/h3-5H,1-2H3,(H,10,11)
InChIKey	WEKZLBGODVDBBZ-UHFFFAOYSA-N
Smiles	CC1=C(C=CC(=C1)S(=O)(=O)C)C(=O)O
Isomeric SMILES	CC1=C(C=CC(=C1)S(=O)(=O)C)C(=O)O
Molecular Weight	214.2
Reaxy-Rn	14516703
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14516703&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	214.240 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	214.03 Da
Monoisotopic Mass	214.03 Da
Topological Polar Surface Area	79.800 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	314.000
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	1

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