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Sodium 4-Chlorobenzenesulfonate - ＞98.0%, high purity , CAS No.5138-90-9

COA

Grade & Purity:

≥98%

Cas Number: 5138-90-9
Molecular Weight: 214.59
MDL number: MFCD00014731
PubChem CID: 517331
PubChem SID: 488189972

In stock

Item Number

S161133

Grouped product items
SKU	Size	Availability	Price
S161133-5g	5g	3	$17.90
S161133-25g	25g	1	$68.90
S161133-100g	100g	2	$246.90
S161133-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$684.90

View related series

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

Basic Description

Synonyms	4-Chlorobenzenesulfonic Acid Sodium Salt \| EINECS 225-900-2 \| Sodium4-Chlorobenzenesulfonate \| AI3-04535 \| Sodium p-chlorobenzenesulfonate \| UNII-E81P56D65B \| p-Chlorbenzensulfonan sodny [Czech] \| Sodium 4-chlorobenzenesulphonate \| MFCD00014731 \| p-Chloro
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	Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Chlorobenzenes Aryl chlorides Sulfonyls Organosulfonic acids Organic metal halides Organochlorides Organic sodium salts Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Organic alkali metal salt - Organic metal halide - Organic oxygen compound - Organosulfur compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic sodium salt - Organic salt - 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	488189972
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488189972
IUPAC Name	sodium;4-chlorobenzenesulfonate
INCHI	InChI=1S/C6H5ClO3S.Na/c7-5-1-3-6(4-2-5)11(8,9)10;/h1-4H,(H,8,9,10);/q;+1/p-1
InChIKey	XLKHCFJHGIAKFX-UHFFFAOYSA-M
Smiles	C1=CC(=CC=C1S(=O)(=O)[O-])Cl.[Na+]
Isomeric SMILES	C1=CC(=CC=C1S(=O)(=O)[O-])Cl.[Na+]
RTECS	DB5620000
PubChem CID	517331
Molecular Weight	214.59
Reaxy-Rn	3760252

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.

4 results found

Lot Number	Certificate Type	Date	Item
F2421052	Certificate of Analysis	Aug 09, 2021	S161133
D2423032	Certificate of Analysis	Aug 09, 2021	S161133
D2426058	Certificate of Analysis	Aug 09, 2021	S161133
B2515053	Certificate of Analysis	Aug 09, 2021	S161133

Chemical and Physical Properties

Solubility	Soluble in water
Molecular Weight	214.600 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	213.947 Da
Monoisotopic Mass	213.947 Da
Topological Polar Surface Area	65.600 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	215.000
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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