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2-Nitrobenzenesulfonamide - 98%, high purity , CAS No.5455-59-4

COA

Grade & Purity:

≥98%

Cas Number: 5455-59-4
Molecular Weight: 202.19
Beilstein Registry Number: 11(4)174
MDL number: MFCD00009807
PubChem CID: 138510
PubChem SID: 488188001

In stock

Item Number

N107769

Grouped product items
SKU	Size	Availability	Price
N107769-5g	5g	10	$52.90
N107769-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$81.90
N107769-25g	25g	5	$155.90
N107769-100g	100g	2	$560.90
N107769-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$2,523.90

View related series

Non heterocyclic block (8163) Sulfur containing compounds (986)

Basic Description

Synonyms	SCHEMBL370668 \| 2-Nitrobenzenesulphonamide \| 2-NITROPHENYL SULFONYLAMINE \| NSC629275 \| NSC-629275 \| Z45415562 \| BCP25648 \| AMY5016 \| SB37611 \| SY058096 \| HY-W008096 \| 1-nitro-2-(sulfinatoamino)benzene \| HSDB 1570 \| SCHEMBL7256089 \| Adrenalonum \| N0705 \| P
Specifications & Purity	≥98%
Shipped In	Normal
Product Description	Usually used as reactant involved in synthesis of Cyclic nitrogen compounds via intramolecular hydroamination,Pentacyclic lycopodium alkaloid huperzine-Q,Pyrrolidines, Intermolecular C-H insertion reactions.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzenesulfonamides
Intermediate Tree Nodes	Not available
Direct Parent	Benzenesulfonamides
Alternative Parents	Nitrobenzenes Benzenesulfonyl compounds Nitroaromatic compounds Organosulfonamides Aminosulfonyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzenesulfonamide - Nitrobenzene - Benzenesulfonyl group - Nitroaromatic compound - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - 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 - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488188001
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488188001
IUPAC Name	2-nitrobenzenesulfonamide
INCHI	InChI=1S/C6H6N2O4S/c7-13(11,12)6-4-2-1-3-5(6)8(9)10/h1-4H,(H2,7,11,12)
InChIKey	GNDKYAWHEKZHPJ-UHFFFAOYSA-N
Smiles	C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)N
Isomeric SMILES	C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)N
WGK Germany	3
Molecular Weight	202.19
Beilstein	11(4)174
Reaxy-Rn	2214215
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2214215&ln=

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

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

Analytical Chart:

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7 results found

Lot Number	Certificate Type	Date	Item
H1615068	Certificate of Analysis	Apr 10, 2024	N107769
L2403280	Certificate of Analysis	Aug 30, 2022	N107769
D2321417	Certificate of Analysis	Aug 30, 2022	N107769
H2206237	Certificate of Analysis	Aug 30, 2022	N107769
H2206240	Certificate of Analysis	Aug 30, 2022	N107769
H2206236	Certificate of Analysis	Aug 30, 2022	N107769
L2411148	Certificate of Analysis	Aug 30, 2022	N107769

Chemical and Physical Properties

Solubility	Slightly soluble in water.
Melt Point(°C)	190-192°C
Molecular Weight	202.190 g/mol
XLogP3	0.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	202.005 Da
Monoisotopic Mass	202.005 Da
Topological Polar Surface Area	114.000 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	289.000
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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