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Benzenesulfonic Acid Monohydrate - ≥98.0%(HPLC), high purity , CAS No.26158-00-9

COA

Grade & Purity:

≥98%(HPLC)

Cas Number: 26158-00-9
Molecular Weight: 158.17(as Anhydrous)
Beilstein Registry Number: 11,26
MDL number: MFCD00149976
PubChem CID: 15619088
PubChem SID: 504767917

In stock

Item Number

B137141

Grouped product items
SKU	Size	Availability	Price
B137141-25g	25g	2	$31.90
B137141-50g	50g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$56.90
B137141-100g	100g	2	$101.90
B137141-250g	250g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$228.90
B137141-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$295.90

View related series

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

Basic Description

Synonyms	A901646 \| VCHHHSMPMLNVGS-UHFFFAOYSA-N \| F0001-0868 \| EPA Pesticide Chemical Code 064102 \| AKOS015855254 \| Benzenesulfonic acid, hydrate (1:1) \| EINECS 215-587-0 \| Hydroxybenzenesulphonic acid \| benzenesulfonic acid;hydrate \| Phenolsulfonic acid, liquid \|
Specifications & Purity	≥98%(HPLC)
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 Sulfonyls Organosulfonic acids Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzenesulfonate - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur 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	504767917
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504767917
IUPAC Name	benzenesulfonic acid;hydrate
INCHI	InChI=1S/C6H6O3S.H2O/c7-10(8,9)6-4-2-1-3-5-6;/h1-5H,(H,7,8,9);1H2
InChIKey	MVIOINXPSFUJEN-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)S(=O)(=O)O.O
Isomeric SMILES	C1=CC=C(C=C1)S(=O)(=O)O.O
WGK Germany	1
RTECS	DB4200000
Molecular Weight	158.17(as Anhydrous)
Beilstein	11,26
Reaxy-Rn	4552655
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4552655&ln=

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.

11 results found

Lot Number	Certificate Type	Date	Item
K2322362	Certificate of Analysis	Nov 06, 2023	B137141
K2322363	Certificate of Analysis	Nov 06, 2023	B137141
K2322364	Certificate of Analysis	Nov 06, 2023	B137141
K2322365	Certificate of Analysis	Nov 06, 2023	B137141
A2509075	Certificate of Analysis	Nov 06, 2023	B137141
K21251152	Certificate of Analysis	Sep 12, 2023	B137141
K21251149	Certificate of Analysis	Sep 12, 2023	B137141
K21251150	Certificate of Analysis	Sep 12, 2023	B137141
K21251151	Certificate of Analysis	Sep 12, 2023	B137141
K1826053	Certificate of Analysis	Jul 13, 2022	B137141
L1612022	Certificate of Analysis	Jul 11, 2022	B137141

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Chemical and Physical Properties

Solubility	Soluble in water
Sensitivity	Moisture sensitive
Melt Point(°C)	42-49°C
Molecular Weight	176.190 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	176.014 Da
Monoisotopic Mass	176.014 Da
Topological Polar Surface Area	63.800 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	184.000
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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