Product Name

  • Name

    Sodium pentanesulfonate

  • EINECS 245-208-4
  • CAS No. 22767-49-3
  • Article Data6
  • CAS DataBase
  • Density 1.018
  • Solubility Soluble in water
  • Melting Point 300 °C
  • Formula C5H11NaO3S
  • Boiling Point
  • Molecular Weight 174.196
  • Flash Point
  • Transport Information
  • Appearance White crystalline powder
  • Safety 37/39-26-28-36/37/39-36
  • Risk Codes 36/37/38-36/38
  • Molecular Structure Molecular Structure of 22767-49-3 (Sodium pentanesulfonate)
  • Hazard Symbols IrritantXi
  • Synonyms 1-Pentanesulfonicacid, sodium salt (8CI,9CI);Pentylsulfonic acid sodium salt;Sodiumn-pentylsulfonate;Sodium pentane-1-sulfonate;Sodium-1-pentane sulfonate;
  • PSA 65.58000
  • LogP 1.80260

Synthetic route

1-Chloropentane
543-59-9

1-Chloropentane

sodium pentane-1-sulfonate
22767-49-3

sodium pentane-1-sulfonate

Conditions
ConditionsYield
With copper; sodium sulfite In ethanol; water for 40h; Reflux;61.4%
With water; sodium sulfite at 200℃;
n-pentanesulphonyl chloride
6303-18-0

n-pentanesulphonyl chloride

sodium pentane-1-sulfonate
22767-49-3

sodium pentane-1-sulfonate

Conditions
ConditionsYield
With sodium hydroxide In 1,4-dioxane; water at 25℃; Rate constant;
1-Bromopentane
110-53-2

1-Bromopentane

sodium pentane-1-sulfonate
22767-49-3

sodium pentane-1-sulfonate

Conditions
ConditionsYield
With sodium sulfite In water for 24h; Heating;
sodium pentyl sulfate
556-76-3

sodium pentyl sulfate

sodium sulfite
7757-83-7

sodium sulfite

sodium pentane-1-sulfonate
22767-49-3

sodium pentane-1-sulfonate

Conditions
ConditionsYield
In water 110-130°C, 4-5 h;
In water 110-130°C, 4-5 h;
sodium pentane-1-sulfonate
22767-49-3

sodium pentane-1-sulfonate

n-pentanesulphonyl chloride
6303-18-0

n-pentanesulphonyl chloride

Conditions
ConditionsYield
With 1,3,5-trichloro-2,4,6-triazine; 18-crown-6 ether In acetone for 20h; Heating;70%
With thionyl chloride In benzene for 4h; Heating;
With phosphorus pentachloride at 140℃; for 0.75h; Neat (no solvent);
sodium pentane-1-sulfonate
22767-49-3

sodium pentane-1-sulfonate

pentane-1-sulfonyl fluoride
329005-61-0

pentane-1-sulfonyl fluoride

Conditions
ConditionsYield
Stage #1: sodium pentane-1-sulfonate With 1,3,5-trichloro-2,4,6-triazine; tetrabutylammomium bromide In acetonitrile at 60℃; for 12h;
Stage #2: With potassium hydrogen difluoride In acetone; acetonitrile at 20℃; for 12h;		68%
sodium pentane-1-sulfonate
22767-49-3

sodium pentane-1-sulfonate

amyl iodide
628-17-1

amyl iodide

Conditions
ConditionsYield
With 18-crown-6 ether; iodine; triphenylphosphine In benzene for 26h; Heating;40 % Chromat.
Mg3Al(OH)8(AcO)∙2H2O

Mg3Al(OH)8(AcO)∙2H2O

sodium pentane-1-sulfonate
22767-49-3

sodium pentane-1-sulfonate

3Mg(2+)*Al(3+)*8HO(1-)*C5H11O3S(1-)*2H2O

3Mg(2+)*Al(3+)*8HO(1-)*C5H11O3S(1-)*2H2O

Conditions
ConditionsYield
In methanol at 20℃; for 72.5h; Sonication;

Sodium pentanesulfonate Chemical Properties


IUPAC Name: Sodium pentane-1-sulfonate
Molecular Formula: C5H11NaO3S
Molecular Weight: 174.19 g/mol
Canonical SMILES: CCCCCS(=O)(=O)[O-].[Na+]
InChI: InChI=1S/C5H12O3S.Na/c1-2-3-4-5-9(6,7)8;/h2-5H2,1H3,(H,6,7,8);/q;+1/p-1
Mol File: 22767-49-3.mol
EINECS: 245-208-4
Product Categories: Alkyl Aryl Sodium Sulfonate Series; Small molecule; Analytical Chemistry; HPLC Ion-Pair Reagents for Basic Samples; Ion-Pair Reagents for HPLC; Ion-pair Reagents
Water Solubility: soluble
H-Bond Acceptor: 3
Rotatable Bond Count: 4
Exact Mass: 174.03266
MonoIsotopic Mass: 174.03266
Topological Polar Surface Area: 57.2
Heavy Atom Count: 10
Complexity: 147
Melting Point of Sodium pentanesulfonate (CAS NO.22767-49-3): 300 °C

Sodium pentanesulfonate Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38-36/38 
R36/37/38: Irritating to eyes, respiratory system and skin. 
R36/38: Irritating to eyes and skin.
Safety Statements: 37/39-26-28-36/37/39-36 
S37/39: Wear suitable gloves and eye/face protection. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S28: After contact with skin, wash immediately with plenty of soap-suds. 
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. 
S36: Wear suitable protective clothing.
WGK Germany of Sodium pentanesulfonate (CAS NO.22767-49-3): 3

Sodium pentanesulfonate Specification

 Sodium pentanesulfonate (CAS NO.22767-49-3), its Synonyms are 1-Pentanesulfonic acid, sodium salt ; 1-Pentanesulfonic acid, sodium salt (1:1) ; Sodium pentane-1-sulphonate monohydrate . It is white crystalline powder.

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