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Sodium 2,4-Dinitrobenzenesulfonate - >98.0%(HPLC)(T), high purity , CAS No.885-62-1

COA

Grade & Purity:

≥98%(HPLC)(T)

Cas Number: 885-62-1
Molecular Weight: 270.15
Beilstein Registry Number: 6676810
MDL number: MFCD00007471
PubChem CID: 70168

In stock

Item Number

S161152

Grouped product items
SKU	Size	Availability	Price
S161152-5g	5g	3	$15.90
S161152-25g	25g	2	$57.90
S161152-100g	100g	1	$208.90

View related series

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

Basic Description

Synonyms	DTXSID8061262 \| NSC 10377 \| AKOS015912517 \| Sodium 2,4-dinitrobenzenesulphonate \| 2,4-Dintrobenzenesulfonicacidsodiumsalt \| Benzenesulfonic acid, 2,4-dinitro-, sodium salt (1:1) \| AI3-09049 \| D0821 \| Sodium 2,4-dinitrobenzenesulfonate \| WPT7E329JW \| 2,4-D
Specifications & Purity	≥98%(HPLC)(T)
Storage Temp	Argon charged
Shipped In	Normal
Product Description	Application: 2,4-Dinitrobenzenesulfonic acid sodium salt is used in the synthesis of aromatic dimethylene spacer-inserted cyclodextrin derivatives.

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	p-Nitrobenzenesulfonates
Alternative Parents	p-Bromobenzenesulfonates Nitrobenzenes Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Nitroaromatic compounds Sulfonyls Organosulfonic acids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	P-nitrobenzenesulfonate - P-bromobenzenesulfonate - Arylsulfonic acid or derivatives - Nitrobenzene - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Nitroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - C-nitro compound - Organic nitro compound - Organic oxoazanium - Organic alkali metal salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organonitrogen compound - Organic sodium salt - Organic salt - Organic oxygen compound - Organopnictogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as p-nitrobenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a nitro group at the para- position.
External Descriptors	organic sodium salt
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	sodium;2,4-dinitrobenzenesulfonate
INCHI	InChI=1S/C6H4N2O7S.Na/c9-7(10)4-1-2-6(16(13,14)15)5(3-4)8(11)12;/h1-3H,(H,13,14,15);/q;+1/p-1
InChIKey	GSBYVRKLPCSLNV-UHFFFAOYSA-M
Smiles	C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-].[Na+]
Isomeric SMILES	C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-].[Na+]
WGK Germany	3
PubChem CID	70168
Molecular Weight	270.15
Beilstein	6676810
Reaxy-Rn	6676807

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

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

Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
H2209599	Certificate of Analysis	Jun 29, 2022	S161152
H2209601	Certificate of Analysis	Jun 29, 2022	S161152
F2210063	Certificate of Analysis	May 26, 2022	S161152
F2210062	Certificate of Analysis	May 26, 2022	S161152
F2210192	Certificate of Analysis	May 26, 2022	S161152

Chemical and Physical Properties

Solubility	Soluble in water; Soluble in Methanol
Sensitivity	Hygroscopic
Molecular Weight	270.150 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	0
Exact Mass	269.956 Da
Monoisotopic Mass	269.956 Da
Topological Polar Surface Area	157.000 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	375.000
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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