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2-Methanesulfonyl-4-nitroaniline - 98%, high purity , CAS No.96-74-2

COA

Grade & Purity:

≥98%

Cas Number: 96-74-2
Molecular Weight: 216.2
PubChem CID: 66785

In stock

Item Number

M188905

Grouped product items
SKU	Size	Availability	Price
M188905-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$203.90
M188905-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$481.90
M188905-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,649.90
M188905-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,967.90

Basic Description

Synonyms	2-(methylsulfonyl)-4-nitroaniline \| 96-74-2 \| 2-methylsulfonyl-4-nitroaniline \| 2-Mesyl-4-nitroaniline \| Benzenamine, 2-(methylsulfonyl)-4-nitro- \| 2-methanesulfonyl-4-nitroaniline \| 2-METHANESULFONYL-4-NITROPHENYLAMINE \| JPB68RZ6WP \| EINECS 202-529-4 \| UNII-JPB68RZ6WP \| SCH
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Nitrobenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Nitrobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Nitrobenzenes
Alternative Parents	Benzenesulfonyl compounds Nitroaromatic compounds Aniline and substituted anilines Sulfones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary amines Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrobenzene - Benzenesulfonyl group - Nitroaromatic compound - Aniline or substituted anilines - Sulfone - Sulfonyl - C-nitro compound - Organic nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Amine - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Primary amine - Organosulfur compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro 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-methylsulfonyl-4-nitroaniline
INCHI	InChI=1S/C7H8N2O4S/c1-14(12,13)7-4-5(9(10)11)2-3-6(7)8/h2-4H,8H2,1H3
InChIKey	KIMXIMWZIRTKCQ-UHFFFAOYSA-N
Smiles	CS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N
Isomeric SMILES	CS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N
Molecular Weight	216.2
Reaxy-Rn	1465717
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1465717&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	216.220 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	216.02 Da
Monoisotopic Mass	216.02 Da
Topological Polar Surface Area	114.000 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	316.000
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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