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4-Bromobenzenesulfonic acid monohydrate - 98%, high purity , CAS No.79326-93-5

COA

Grade & Purity:

≥98%

Cas Number: 79326-93-5
Molecular Weight: 255.09
MDL number: MFCD03427177
PubChem CID: 16217152
PubChem SID: 488199217

In stock

Item Number

B472639

Grouped product items
SKU	Size	Availability	Price
B472639-250mg	250mg	6	$84.90
B472639-1g	1g	5	$200.90
B472639-5g	5g	2	$700.90

Basic Description

Synonyms	4-Bromobenzenesulfonic acid monohydrate \| 4-Bromobenzenesulfonicacidhydrate \| 4-Bromobenzenesulfonic acid monohydrate, 98% \| AKOS015951412 \| A864878 \| FT-0689589 \| 4-Bromobenzenesulfonic acid hydrate \| BS-23226 \| SCHEMBL5581959 \| 4-bromobenzenesulfonic ac
Specifications & Purity	≥98%

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 Bromobenzenes Aryl bromides Sulfonyls Organosulfonic acids Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzenesulfonate - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organobromide - Organohalogen 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

Pubchem Sid	488199217
IUPAC Name	4-bromobenzenesulfonic acid;hydrate
INCHI	InChI=1S/C6H5BrO3S.H2O/c7-5-1-3-6(4-2-5)11(8,9)10;/h1-4H,(H,8,9,10);1H2
InChIKey	JHULXEZFSDUIRI-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1S(=O)(=O)O)Br.O
Isomeric SMILES	C1=CC(=CC=C1S(=O)(=O)O)Br.O
PubChem CID	16217152
UN Number	3261
Molecular Weight	255.09

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
D23191382	Certificate of Analysis	Mar 14, 2023	B472639
D23191322	Certificate of Analysis	Mar 14, 2023	B472639
D23191368	Certificate of Analysis	Mar 14, 2023	B472639
D23191369	Certificate of Analysis	Mar 14, 2023	B472639
D23191373	Certificate of Analysis	Mar 14, 2023	B472639
D23191370	Certificate of Analysis	Mar 14, 2023	B472639

Chemical and Physical Properties

Flash Point(°F)	Not applicable
Flash Point(°C)	Not applicable
Melt Point(°C)	90-93℃ (lit.)
Molecular Weight	255.090 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	253.925 Da
Monoisotopic Mass	253.925 Da
Topological Polar Surface Area	63.800 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	210.000
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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