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Sodium 3-nitro-4-chlorobenzenesulfonate - 98%, high purity , CAS No.17691-19-9

COA

Grade & Purity:

≥98%

Cas Number: 17691-19-9
Molecular Weight: 259.6
PubChem CID: 87246
PubChem SID: 488186409

In stock

Item Number

S357290

Grouped product items
SKU	Size	Availability	Price
S357290-100mg	100mg	3	$166.90
S357290-250mg	250mg	3	$333.90
S357290-1g	1g	5	$966.90
S357290-5g	5g	2	$3,333.90

Basic Description

Synonyms	EINECS 241-680-0 \| POUGKTDTYSAMAT-UHFFFAOYSA-M \| sodium 4-chloro-3-nitrobenzensulfonate \| CS-0333824 \| sodium4-chloro-3-nitrobenzenesulfonate \| AC-11461 \| Sodium 3-nitro-4-chlorobenzenesulfonate \| Sodium 1-chloro-2-nitrobenzene-4-sulfonate \| SCHEMBL176738
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzenesulfonic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzenesulfonic acids and derivatives
Alternative Parents	1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Nitrobenzenes Nitroaromatic compounds Chlorobenzenes Aryl chlorides Sulfonyls Organosulfonic acids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic metal halides Organic oxides Hydrocarbon derivatives Organic sodium salts Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Nitrobenzene - 1-sulfo,2-unsubstituted aromatic compound - Nitroaromatic compound - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic metal halide - Organic oxoazanium - Organic alkali metal salt - Organic 1,3-dipolar compound - Organonitrogen compound - Organochloride - Organopnictogen compound - Organohalogen compound - Hydrocarbon derivative - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organic sodium salt - Organic salt - Organic oxide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzenesulfonic acids and derivatives. These are organic compounds containing a sulfonic acid or a derivative thereof that is 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

Names and Identifiers

Pubchem Sid	488186409
IUPAC Name	sodium;4-chloro-3-nitrobenzenesulfonate
INCHI	InChI=1S/C6H4ClNO5S.Na/c7-5-2-1-4(14(11,12)13)3-6(5)8(9)10;/h1-3H,(H,11,12,13);/q;+1/p-1
InChIKey	POUGKTDTYSAMAT-UHFFFAOYSA-M
Smiles	C1=CC(=C(C=C1S(=O)(=O)[O-])[N+](=O)[O-])Cl.[Na+]
Isomeric SMILES	C1=CC(=C(C=C1S(=O)(=O)[O-])[N+](=O)[O-])Cl.[Na+]
PubChem CID	87246
Molecular Weight	259.6

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot Number	Certificate Type	Date	Item
F2520134	Certificate of Analysis	Jun 30, 2025	S357290
L2209349	Certificate of Analysis	Nov 24, 2022	S357290
L2209504	Certificate of Analysis	Nov 24, 2022	S357290
L2209505	Certificate of Analysis	Nov 24, 2022	S357290
L2209677	Certificate of Analysis	Nov 24, 2022	S357290

Chemical and Physical Properties

Molecular Weight	259.600 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	258.932 Da
Monoisotopic Mass	258.932 Da
Topological Polar Surface Area	111.000 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	305.000
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	2

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