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3,5-DICHLORO-4-HYDROXYBENZENESULFONIC ACID , CAS No.25319-98-6

COA

Cas Number: 25319-98-6
Molecular Weight: 243.066
PubChem CID: 91397

In stock

Item Number

D169053

Grouped product items
SKU	Size	Availability	Price	Qty
D169053-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$33.90
D169053-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$121.90

Basic Description

Synonyms	3,5-dichloro-4-hydroxybenzenesulfonic acid \| 25319-98-6 \| 3,5-Dichloro-4-hydroxybenzenesulphonic acid \| 3,5-Dichloro-4-Hydroxybenzene-1-Sulfonic Acid \| NSC-202726 \| C6H4Cl2O4S \| EINECS 246-833-5 \| NSC202726 \| 3,5-dichloro-4-hydroxybenzenesulphonicacid \| VR736EB8ED \| SCHEMBL3
Storage Temp	Room temperature
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 O-chlorophenols Dichlorobenzenes Aryl chlorides Sulfonyls Organosulfonic acids Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - 1,3-dichlorobenzene - 2-halophenol - 2-chlorophenol - Chlorobenzene - Halobenzene - Phenol - Aryl halide - Aryl chloride - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Organosulfur compound - Organooxygen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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

IUPAC Name	3,5-dichloro-4-hydroxybenzenesulfonic acid
INCHI	InChI=1S/C6H4Cl2O4S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2,9H,(H,10,11,12)
InChIKey	PGDCAFRJYQICAY-UHFFFAOYSA-N
Smiles	C1=C(C=C(C(=C1Cl)O)Cl)S(=O)(=O)O
Isomeric SMILES	C1=C(C=C(C(=C1Cl)O)Cl)S(=O)(=O)O
Molecular Weight	243.066
Reaxy-Rn	2842112
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2842112&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	243.060 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	241.921 Da
Monoisotopic Mass	241.921 Da
Topological Polar Surface Area	83.000 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	261.000
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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