Sodium 1-Tridecanesulfonate - ≥98%(W) , CAS No.5802-89-1

CAS: 5802-89-1 Cat. No.: S161244 Molecular Weight: 286.41 EC Number: 109-095-4 PubChem CID: 23683718

COA

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Sodium 1-Tridecanesulfonate - ≥98%(W) CAS No(5802-89-1) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥98%(W)

Synonyms

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

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Why this grade

≥98%(W) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature,Argon charged Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms

Specifications & Purity

≥98%(W)

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%(W)

Names and Identifiers

Canonical Smiles	CCCCCCCCCCCCCS(=O)(=O)[O-].[Na+]
IUPAC Name	sodium;tridecane-1-sulfonate
InChIKey	CACJZDMMUHMEBN-UHFFFAOYSA-M
INCHI	1S/C13H28O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(14,15)16;/h2-13H2,1H3,(H,14,15,16);/q;+1/p-1
Isomeric SMILES	CCCCCCCCCCCCCS(=O)(=O)[O-].[Na+]
PubChem CID	23683718
Molecular Weight	286.41

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

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

3D Structure

Associated Targets(Human)

A498 (42825 Activities)

Lot Number	Certificate Type	Date	Item
F2222336	Certificate of Analysis	Apr 02, 2026	S161244
K2105626	Certificate of Analysis	Aug 12, 2025	S161244
G2207274	Certificate of Analysis	Jun 14, 2022	S161244
L2412018	Certificate of Analysis	Jun 14, 2022	S161244
F2204616	Certificate of Analysis	May 20, 2022	S161244
L2412015	Certificate of Analysis	May 20, 2022	S161244

Sensitivity	Hygroscopic
Molecular Weight	286.410 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	12
Exact Mass	286.158 Da
Monoisotopic Mass	286.158 Da
Topological Polar Surface Area	65.600 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	247.000
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