1-DODECANESULFONIC ACID SODIUM SALT

The 1-Dodecanesulfonic acid sodium salt, with the CAS registry number 2386-53-0, is also known as Sodium dodecyl sulfonate. It belongs to the product categories of Anionic Surfactants; Functional Materials; Sulfonate (Surfactants); Surfactants; Analytical Chemistry; HPLC Ion-Pair Reagents for Basic Samples; Ion-Pair Reagents for HPLC; Ion-Pair Reagents. Its EINECS registry number is 219-200-6. This chemical's molecular formula is C₁₂H₂₅NaO₃S and molecular weight is 272.38. What's more, its systematic name is called Sodium dodecane-1-sulfonate. This chemical can be prepared by n-C₁₂H₂₆ with SO₂, O₂.

Physical properties about 1-Dodecanesulfonic acid sodium salt are: (1)ACD/LogP: 3.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.68; (4)ACD/LogD (pH 7.4): 0.46; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.81; (8)ACD/KOC (pH 7.4): 1.08; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 62.75 Å².

Uses of 1-Dodecanesulfonic acid sodium salt: (1) it is used as emulsifiers, flotation agents, foaming agents, dyeing and printing industry, penetrating agent; (2) it is used to produce other chemicals. For example, it can produce 1-Chloro-dodecane. The reaction occurs with reagent thionyl chloride and solvent dimethylformamide at temperature of 100 °C. The reaction time is 1 hour. The yield is 81 %.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should avoid contacting with skin, eyes and wear suitable protective clothing, gloves. The gas can not be breathed. And in case of contacting with eyes, you should 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-])CCCCCCCCCCCC
(2) InChI: InChI=1S/C12H26O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1
(3) InChIKey: DAJSVUQLFFJUSX-UHFFFAOYSA-M