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Sodium 1-heptanesulfonate monohydrate - ≥99.0% (T), high purity , CAS No.207300-90-1

1 Citations

COA

Grade & Purity:

≥99%(T)

Cas Number: 207300-90-1
Molecular Weight: 220.26
PubChem CID: 23687711

In stock

Item Number

S432302

Grouped product items
SKU	Size	Availability	Price	Qty
S432302-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$45.90
S432302-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$75.90

Basic Description

Synonyms	F10034 \| Sodium 1-heptanesulfonate monohydrate \| sodium;heptane-1-sulfonate;hydrate \| Sodium 1-heptanesulfonate monohydrate, for HPLC, >=99% \| Sodium1-heptanesulfonatemonohydrate \| AKOS015909827 \| SY011506 \| 1-Heptanesulfonic acid sodium salt monohydrate
Specifications & Purity	≥99%(T)
Product Description	Other Notes Sodium 1-heptanesulfonate monohydrate can be used as an ion-pairing (IP) reagent, to develop ion-pair reversed phase liquid chromatography method, for the determination of antituberculosis drug ethambutol hydrochloride.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Organic sulfonic acids and derivatives
    - Subclass Organosulfonic acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Organic sulfonic acids and derivatives
Subclass	Organosulfonic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Organosulfonic acids
Alternative Parents	Sulfonyls Alkanesulfonic acids Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework	Aliphatic acyclic compounds
Substituents	Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organosulfur compound - Organic cation - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as organosulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom).
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	sodium;heptane-1-sulfonate;hydrate
INCHI	InChI=1S/C7H16O3S.Na.H2O/c1-2-3-4-5-6-7-11(8,9)10;;/h2-7H2,1H3,(H,8,9,10);;1H2/q;+1;/p-1
InChIKey	XWZCREJRXRKIRQ-UHFFFAOYSA-M
Smiles	CCCCCCCS(=O)(=O)[O-].O.[Na+]
Isomeric SMILES	CCCCCCCS(=O)(=O)[O-].O.[Na+]
WGK Germany	3
PubChem CID	23687711
Molecular Weight	220.26

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

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

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	>300°
Molecular Weight	220.260 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	220.075 Da
Monoisotopic Mass	220.075 Da
Topological Polar Surface Area	66.600 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	172.000
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	3

Citations of This Product

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