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Cas Database |
| Name |
Sodium 1-heptanesulfonate |
EINECS | 245-210-5 |
| CAS No. | 22767-50-6 | Density | 1.017 g/cm |
| PSA | 65.58000 | LogP | 2.58280 |
| Solubility | soluble in water | Melting Point |
>300 °C(lit.) |
| Formula | C7H15NaO3S | Boiling Point | N/A |
| Molecular Weight | 202.25 | Flash Point | N/A |
| Transport Information | N/A | Appearance | White, odourless powder or crystals |
| Safety | 37/39-26-36/37-36 | Risk Codes | 36/37/38-43 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Sodium-1-heptane sulfonate;1-Heptanesulfonicacid, sodium salt (8CI,9CI);Heptylsulfonic acid sodium salt;Sodium1-heptanesulfonate;Sodium heptanesulfonate;Sodium n-heptylsulfonate; |
Article Data | 3 |
Sodium 1-heptanesulfonate Synthetic route
- 629-06-1
1-Chloroheptane
- 22767-50-6
sodium heptanesulfonate
| Conditions | Yield |
|---|---|
| With water; sodium sulfite at 200℃; |
- 629-04-9
1-Bromoheptane
- 22767-50-6
sodium heptanesulfonate
| Conditions | Yield |
|---|---|
| With sodium sulfite In water for 24h; Heating; |
- 142-82-5
n-heptane
- 22767-50-6
sodium heptanesulfonate
| Conditions | Yield |
|---|---|
| Stage #1: n-heptane With P25; sulfur dioxide; oxygen for 5h; Irradiation; Stage #2: With sodium hydroxide In methanol Mechanism; Reagent/catalyst; Solvent; chemoselective reaction; | 600 mg |
| Conditions | Yield |
|---|---|
| In chloroform at 20℃; for 5h; | 95% |
- 22767-50-6
sodium heptanesulfonate
- 927-92-4
heptanesulfonyl chloride
| Conditions | Yield |
|---|---|
| With thionyl chloride In benzene for 4h; Heating; | |
| With phosphorus pentachloride at 140℃; for 0.75h; Neat (no solvent); | |
| With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 20℃; for 1h; | |
| With thionyl chloride Reflux; Inert atmosphere; | |
| With thionyl chloride for 6h; Reflux; Inert atmosphere; |
- 22767-50-6
sodium heptanesulfonate
- 797059-78-0
heptane-1-sulfonic acid (2-oxo-tetrahydro-furan-3-yl)-amide
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: thionyl chloride / benzene / 4 h / Heating 2: 1,8-diazabicyclo[5.4.0]-undec-7-ene; 4-dimethylaminopyridine / CH2Cl2 / 24 h / 20 °C View Scheme |
- 7726-95-6
bromine
- 22767-50-6
sodium heptanesulfonate
| Conditions | Yield |
|---|---|
| In water Br2 gas diffused to aq. soln. contg. C7H15SO3Na and Pd complex; |
- 22767-50-6
sodium heptanesulfonate
- 1311414-38-6
N-(3-(5-(3'-O-Acetyl-2'-deoxyuridine))prop-2-ynyl)heptane-1-sulfonamide
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: thionyl chloride / Reflux; Inert atmosphere 2: triethylamine / dichloromethane / 0 - 20 °C / Inert atmosphere 3: copper(l) iodide; tetrakis(triphenylphosphine) palladium(0); N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 20 °C / Inert atmosphere View Scheme |
- 22767-50-6
sodium heptanesulfonate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 5 steps 1.1: thionyl chloride / Reflux; Inert atmosphere 2.1: triethylamine / dichloromethane / 0 - 20 °C / Inert atmosphere 3.1: copper(l) iodide; tetrakis(triphenylphosphine) palladium(0); N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 20 °C / Inert atmosphere 4.1: pyridine; pyridinium β-cyanoethyl phosphate; dicyclohexyl-carbodiimide / 48 h / 20 °C / Inert atmosphere 5.1: water; sodium hydroxide / 0.08 h / 100 °C 5.2: Dowex 50-WX8 (Na+ form) View Scheme |
- 22767-50-6
sodium heptanesulfonate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: thionyl chloride / Reflux; Inert atmosphere 2: triethylamine / dichloromethane / 0 - 20 °C / Inert atmosphere 3: copper(l) iodide; tetrakis(triphenylphosphine) palladium(0); N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 20 °C / Inert atmosphere 4: pyridine; pyridinium β-cyanoethyl phosphate; dicyclohexyl-carbodiimide / 48 h / 20 °C / Inert atmosphere View Scheme |
Sodium 1-heptanesulfonate Chemical Properties
IUPAC Name: Sodium heptane-1-sulfonate
Following is the structure of 1-Heptanesulfonic acid,sodium salt (1:1) (CAS NO.22767-50-6):
Empirical Formula: C7H15NaO3S
Molecular Weight: 202.247
EINECS: 245-210-5
Density 1.017 g/cm3
Melting point: >300 °C(lit.)
Water solubility: soluble
Appearance of 1-Heptanesulfonic acid,sodium salt (1:1) (CAS NO.22767-50-6): White crystalline powder
Product Categories of 1-Heptanesulfonic acid,sodium salt (1:1) (CAS NO.22767-50-6): Alkyl Aryl Sodium Sulfonate Series; Analytical Chemistry; HPLC Ion-Pair Reagents for Basic Samples; Ion-Pair Reagents for HPLC; Ion-pair Reagents
Canonical SMILES: CCCCCCCS(=O)(=O)[O-].[Na+]
InChI: InChI=1S/C7H16O3S.Na/c1-2-3-4-5-6-7-11(8,9)10;/h2-7H2,1H3,(H,8,9,10);/q;+1/p-1
InChIKey: REFMEZARFCPESH-UHFFFAOYSA-M
Sodium 1-heptanesulfonate Toxicity Data With Reference
1-Heptanesulfonic acid,sodium salt (1:1) (CAS NO.22767-50-6) hasn't been listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65. And the toxicological properties have not been fully investigated.
Sodium 1-heptanesulfonate Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38-43
R36/37/38:Irritating to eyes, respiratory system and skin.
R43:May cause sensitization by skin contact.
Safety Statements: 37/39-26-36/37-36
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.
S36/37:Wear suitable protective clothing and gloves.
S36:Wear suitable protective clothing.
WGK Germany: 3
F: 8-10
HS Code: 29041000
Sodium 1-heptanesulfonate Specification
1-Heptanesulfonic acid,sodium salt (1:1) , its cas register number is 22767-50-6. It also can be called Sodium 1-heptanesulfonate ; and 1-Heptanesulfonic acid sodium salt .
1-Heptanesulfonic acid,sodium salt (1:1) (CAS NO.22767-50-6) is hazardous, so the first aid measures and others should be known. Such as: When on the skin: first, should flush skin with plenty of water immediately for at least 15 minutes while removing contaminated clothing. Secondly, get medical aid. Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Then get medical aid soon. While, it's inhaled: Remove from exposure and move to fresh air immediately. Give artificial respiration while not breathing. When breathing is difficult, give oxygen. And as soon as to get medical aid. Then you have the ingesting of the product : Wash mouth out with water, and get medical aid immediately.
1-Heptanesulfonic acid,sodium salt (1:1) (CAS NO.22767-50-6) could be stable under normal temperatures and pressures. It should avoid the condition like incompatible materials. It is not compatible with strong oxidizing agents. And also prevent it to broken down into hazardous decomposition products: carbon monoxide, oxides of sulfur, carbon dioxide, sodium oxide. However, its hazardous polymerization will not occur. In addition, it should be stored in a cool, dry place, or stored in a tightly closed container.
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