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N-Ethyl-p-toluenesulfonamide

CAS：80-39-7
MW:199.268
MF：C9H13NO2S

N-Ethyl-p-toluenesulfonamide, with the chemical formula C10H15NO2S and CAS registry number 80-39-7, is a compound known for its applications in various industries. This colorless solid, also referred to as NEPTS, is characterized by its ethyl and toluene functional groups. It is commonly used as a plasticizer, lubricant, and corrosion inhibitor in the production of polymers, resins, and coatings. NEPTS is also utilized as a pharmaceutical intermediate and a reagent in organic synthesis. With its versatile properties, N-Ethyl-p-toluenesulfonamide plays a crucial role in enhancing the performance and functionality of various products and processes.

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Names and ldentifier
Properties
Use and Manufacturing
Safety and Handling
Msds
NMR Spectrum
Other Information
Computational chemical data
Realated Product Infomation

1. Names and Identifiers

1.1 Name: N-Ethyl-p-toluenesulfonamide

1.2 Synonyms: Benzenesulfonamide, N-ethyl-4-methyl-; Brinzolamide Impurity 1; Ethyl toluenesulfonamide; Ethylp-toluenesulfonamide; n-ethyl-4-methyl-benzenesulfonamid; n-ethyl-4-methylbenzenesulfonamide; N-Ethyl-4-methyl-benzenesulfonamide; N-Ethyl-4-toluenesulfonamide; N-Ethyl-p-methylbenzenesulfonamide; N-Ethyl-p-toluenesulfonamide; N-Ethyl-p-tolylsulfonamide; N-Ethyltoluene-4-sulfonamide for synthesis; N-Ethyltosylamide; NSC 68803; N-Tosylethylamine; p-Toluene-N-ethylsulfonamide; p-Toluenesulfonamide, N-ethyl-; p-Toluenesulfonyl-N-ethylamide; Santicizer 3;

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1.3 CAS No.: 80-39-7

1.4 CID: 6637

1.5 EINECS: 232-465-2; 201-275-1

1.6 Molecular Formula: C9H13NO2S

1.7 Inchi: InChI=1S/C9H13NO2S/c1-3-10-13(11,12)9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3

1.8 InChkey: OHPZPBNDOVQJMH-UHFFFAOYSA-N

1.9 Canonical Smiles: CCNS(=O)(=O)C1=CC=C(C=C1)C

1.10 Isomers Smiles: CCNS(=O)(=O)C1=CC=C(C=C1)C

2. Properties

2.1 Solubility: water: <0.01 g/100 mL at 18 °C

2.2 Appearance: off-white crystalline solid

2.3 Storage: Ambient temperatures.

2.4 Chemical Properties: off-white crystalline solid

2.5 Color/Form: white

2.6 pKa: 11.86±0.50(Predicted)

2.7 Water Solubility: water: <0.01 g/100 mL at 18 °C

2.8 Stability: Stable. Incompatible with strong oxidizing agents.

3. Use and Manufacturing

3.1 Description

N-Ethyl-p-toluenesulfonamide, also known as ETSA, has the chemical formula C10H15NO2S and the CAS number 80-39-7. It is a sulfonamide compound that appears as a white to off-white crystalline powder. ETSA has a slight aromatic odor. Its basic structure consists of an ethyl group and a p-toluenesulfonamide group attached to a nitrogen atom. This compound is sparingly soluble in water. Safety information regarding ETSA suggests that it may cause irritation to the skin and eyes. It is important to avoid ingestion or inhalation of this chemical. In case of contact, it is recommended to rinse thoroughly with water. ETSA should be handled with care and appropriate protective measures should be taken during its use.

Applicable Fields

Plasticizers: N-Ethyl-p-toluenesulfonamide is commonly used as a plasticizer in various industries. Its purpose in this field involves enhancing the flexibility and durability of plastics. The mechanism of action of ETSA as a plasticizer is based on its ability to reduce intermolecular forces within the polymer matrix, resulting in improved plasticity and reduced brittleness.

Pharmaceuticals: ETSA is also utilized in the pharmaceutical industry. It serves as an intermediate in the synthesis of certain drugs. The mechanism of action in this context involves its role as a building block for the formation of specific chemical structures required for drug synthesis.

Storage

Conditions: Store in a cool and dry place.

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3.2 General Description: Platelets (from dilute alcohol or ligroin) or off-white solid.

3.3 Usage: Plasticizer.

4. Safety and Handling

4.1 Fire Hazard: Flash point data for N-Ethyl-p-toluenesulfonamide are not available; however, N-Ethyl-p-toluenesulfonamide is probably combustible. N-Ethyl-p-toluenesulfonamide Preparation Products And Raw materials Raw materials

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H315 Causes skin irritation H319 Causes serious eye irritation H335 May cause respiratory irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area.
Response	P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.
Storage	P403+P233 Store in a well-ventilated place. Keep container tightly closed. P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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6. NMR Spectrum

13C NMR : Predict

1H NMR : Predict

Predict 1H proton NMR

Mass spectrum (electron ionization)

7. Synthesis Route

80-39-7Total: 15 Synthesis Route

98-59-9 190 Suppliers

80-39-7 81 Suppliers

70-55-3 271 Suppliers

80-39-7 81 Suppliers

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8. Precursor and Product

precursor:

64-17-5

824-79-3

75-04-7

109-63-7

70-55-3

98-59-9

557-66-4

80-40-0

21567-23-7

product:

649-15-0

4703-19-9

58754-95-3

71173-13-2

70-55-3

57186-68-2

9. Computed Properties

Molecular Weight：199.268g/mol
Molecular Formula：C₉H₁₃NO₂S
Compound Is Canonicalized：True
XLogP3-AA：199.06669983
Monoisotopic Mass：199.06669983
Complexity：235
Rotatable Bond Count：3
Hydrogen Bond Donor Count：1
Hydrogen Bond Acceptor Count：3
Topological Polar Surface Area：54.6
Heavy Atom Count：：13
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADccByMABAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHAQQQAAADADBWAQyAYBAAAKAAiBCAHBCABAgAAAIiJgAAIgIICKAERCAIAAgkAAIiAcAgAAOEAAAAAAAAAAgAAAAAAAAAAAAAAAAAA==

10.Other Information

Chemical Properties: off-white crystalline solid

Uses: Plasticizer.

General Description: Platelets (from dilute alcohol or ligroin) or off-white solid.

Air & Water Reactions: Insoluble in water.

Reactivity Profile: An amide. Organic amides/imides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides/imides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx).

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