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Cas Database |
| Name |
Sodium pentanesulfonate |
EINECS | 245-208-4 |
| CAS No. | 22767-49-3 | Density | 1.018 |
| PSA | 65.58000 | LogP | 1.80260 |
| Solubility | Soluble in water | Melting Point |
300 °C |
| Formula | C5H11NaO3S | Boiling Point | N/A |
| Molecular Weight | 174.196 | Flash Point | N/A |
| Transport Information | N/A | Appearance | White crystalline powder |
| Safety | 37/39-26-28-36/37/39-36 | Risk Codes | 36/37/38-36/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
1-Pentanesulfonicacid, sodium salt (8CI,9CI);Pentylsulfonic acid sodium salt;Sodiumn-pentylsulfonate;Sodium pentane-1-sulfonate;Sodium-1-pentane sulfonate; |
Article Data | 6 |
Sodium pentanesulfonate Synthetic route
- 543-59-9
1-Chloropentane
- 22767-49-3
sodium pentane-1-sulfonate
| Conditions | Yield |
|---|---|
| With copper; sodium sulfite In ethanol; water for 40h; Reflux; | 61.4% |
| With water; sodium sulfite at 200℃; |
- 6303-18-0
n-pentanesulphonyl chloride
- 22767-49-3
sodium pentane-1-sulfonate
| Conditions | Yield |
|---|---|
| With sodium hydroxide In 1,4-dioxane; water at 25℃; Rate constant; |
- 110-53-2
1-Bromopentane
- 22767-49-3
sodium pentane-1-sulfonate
| Conditions | Yield |
|---|---|
| With sodium sulfite In water for 24h; Heating; |
| Conditions | Yield |
|---|---|
| In water 110-130°C, 4-5 h; | |
| In water 110-130°C, 4-5 h; |
- 22767-49-3
sodium pentane-1-sulfonate
- 6303-18-0
n-pentanesulphonyl chloride
| Conditions | Yield |
|---|---|
| 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); |
- 22767-49-3
sodium pentane-1-sulfonate
- 329005-61-0
pentane-1-sulfonyl fluoride
| Conditions | Yield |
|---|---|
| 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% |
- 22767-49-3
sodium pentane-1-sulfonate
- 628-17-1
amyl iodide
| Conditions | Yield |
|---|---|
| With 18-crown-6 ether; iodine; triphenylphosphine In benzene for 26h; Heating; | 40 % Chromat. |
| Conditions | Yield |
|---|---|
| In methanol at 20℃; for 72.5h; Sonication; |
Sodium pentanesulfonate Chemical Properties
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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: 
Xi
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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