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5-(Methylsulfonyl)-2-nitrobenzoic acid - 95%, high purity , CAS No.898547-72-3

COA

Grade & Purity:

≥95%

Cas Number: 898547-72-3
Molecular Weight: 245.2
PubChem CID: 53418308

In stock

Item Number

M187908

Grouped product items
SKU	Size	Availability	Price
M187908-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$62.90
M187908-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$261.90
M187908-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$707.90
M187908-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,182.90

Discover 5-(Methylsulfonyl)-2-nitrobenzoic acid by Aladdin Scientific in 95% for only $62.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	5-(METHYLSULFONYL)-2-NITROBENZOIC ACID \| 898547-72-3 \| 5-methylsulfonyl-2-nitrobenzoic acid \| 5-methanesulfonyl-2-nitrobenzoic acid \| DTXSID30697402 \| AKOS015920382 \| DS-1532 \| 5-(Methanesulfonyl)-2-nitrobenzoic acid \| A861027
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 Benzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Nitrobenzoic acids and derivatives
Alternative Parents	Benzenesulfonyl compounds Benzoic acids Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Sulfones Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Organic oxoazanium compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Organic salts Organonitrogen compounds Organooxygen compounds Organic cations
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrobenzoate - Benzoic acid - Nitrobenzene - Benzenesulfonyl group - Nitroaromatic compound - Benzoyl - Sulfone - Sulfonyl - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Organic oxoazanium - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Organic cation - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.
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	5-methylsulfonyl-2-nitrobenzoic acid
INCHI	InChI=1S/C8H7NO6S/c1-16(14,15)5-2-3-7(9(12)13)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)
InChIKey	FXWQIUPBICXSAU-UHFFFAOYSA-N
Smiles	CS(=O)(=O)C1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O
Isomeric SMILES	CS(=O)(=O)C1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O
Molecular Weight	245.2
Reaxy-Rn	19659584
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19659584&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	245.210 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	244.999 Da
Monoisotopic Mass	244.999 Da
Topological Polar Surface Area	126.000 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	392.000
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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