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5802-89-1

Basic Information
CAS No.: 5802-89-1
Name: 1-TRIDECANESULFONIC ACID SODIUM SALT
Molecular Structure:
Molecular Structure of 5802-89-1 (1-TRIDECANESULFONIC ACID SODIUM SALT)
Formula: C13H27NaO3S
Molecular Weight: 286.41
Synonyms: 1-Tridecanesulfonicacid, sodium salt (7CI,8CI,9CI);Sodium 1-tridecanesulfonate;Sodiumtridecylsulfonate;
EINECS: 221-188-2
Melting Point: 185-189°C
Solubility: almost transparency in hot Water
Hazard Symbols: Xi
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 65.58000
LogP: 4.92340
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Specification

This chemical is called 1-Tridecanesulfonicacid, sodium salt (1:1), and its systematic name is sodium tridecane-1-sulfonate. With the molecular formula of C13H27NaO3S, its molecular weight is 286.41. The CAS registry number of this chemical is 5802-89-1. Additionally, its product categories are Analytical Chemistry; Anionic Surfactants; Functional Materials; HPLC Ion-Pair Reagents for Basic Samples; Surfactants. Moreover, this chemical should be sealed in the cool and dry place, away from light.

Other characteristics of the 1-Tridecanesulfonicacid, sodium salt (1:1) can be summarised as followings: (1)#H bond acceptors: 3;; (2)(2)#H bond donors: 1;; (3)(3)#Freely Rotating Bonds: 12;; (4)(4)Polar Surface Area: 65.58 Å2.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: [Na+].O=S(=O)([O-])CCCCCCCCCCCCC
2.InChI: InChI=1/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
3.InChIKey: CACJZDMMUHMEBN-REWHXWOFAF