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2,4-Dimethyl-5-(methylsulfonyl)aniline - 95%, high purity , CAS No.849035-63-8

COA

Grade & Purity:

≥95%

Cas Number: 849035-63-8
Molecular Weight: 199.27
MDL number: MFCD04037922
PubChem CID: 2761053

In stock

Item Number

D300880

Grouped product items
SKU	Size	Availability	Price
D300880-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
D300880-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$15.90
D300880-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$66.90
D300880-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$221.90
D300880-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$921.90
D300880-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$4,147.90

Basic Description

Synonyms	2,4-dimethyl-5-(methylsulfonyl)aniline \| 849035-63-8 \| 2,4-dimethyl-5-methylsulfonylaniline \| 2,4-dimethyl-5-(methylsulphonyl)aniline \| 5-methanesulfonyl-2,4-dimethylaniline \| SCHEMBL14734848 \| DTXSID40375507 \| MFCD04037922 \| AKOS006344965 \| PS-5949 \| 2,4-dimethyl-5-(methyls
Specifications & Purity	≥95%
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	m-Xylenes Aniline and substituted anilines Sulfones Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzenesulfonyl group - Aniline or substituted anilines - Xylene - M-xylene - Sulfone - Sulfonyl - Amine - Organic oxide - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Primary amine - Organosulfur compound - Organonitrogen 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	2,4-dimethyl-5-methylsulfonylaniline
INCHI	InChI=1S/C9H13NO2S/c1-6-4-7(2)9(5-8(6)10)13(3,11)12/h4-5H,10H2,1-3H3
InChIKey	RPXUEHXANDRWAI-UHFFFAOYSA-N
Smiles	CC1=CC(=C(C=C1N)S(=O)(=O)C)C
Isomeric SMILES	CC1=CC(=C(C=C1N)S(=O)(=O)C)C
Molecular Weight	199.27
Reaxy-Rn	21971765
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21971765&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	112-115
Molecular Weight	199.270 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	199.067 Da
Monoisotopic Mass	199.067 Da
Topological Polar Surface Area	68.500 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	268.000
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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