化学百科 / Organic Intermediate / Pharmaceutical Intermediates / Syntheses Material Intermediates

N−エチルペトルスルホンアミド

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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名前と識別子
性質
MSDS情報
NMR スペクトル
計算化学データ
実際の製品情報

1. 名前と識別子

1.1 商品名: N−エチルペトルスルホンアミド

1.2 シノニム: 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番号: 232-465-2; 201-275-1

1.6 分子式: N-Ethyltoluene-4-sulfonamide

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 InchiKey: OHPZPBNDOVQJMH-UHFFFAOYSA-N

1.9 標準的な SMILES: CCNS(=O)(=O)C1=CC=C(C=C1)C

1.10 異性体 SMILES: CCNS(=O)(=O)C1=CC=C(C=C1)C

2. 性質

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

2.2 pKa: 11.86±0.50(Predicted)

3. MSDS情報

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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4. NMR スペクトル

13C NMR : Predict

1H NMR : Predict

Predict 1H proton NMR

Mass spectrum (electron ionization)

5. 合成路線

80-39-7Total: 15 合成路線

98-59-9 190 しいれ業者

80-39-7 81 しいれ業者

70-55-3 271 しいれ業者

80-39-7 81 しいれ業者

すべてを表示

6. 前駆体と製品

上位製品:

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

下流製品:

649-15-0

4703-19-9

58754-95-3

71173-13-2

70-55-3

57186-68-2

7. 計算化学データ

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==

8. Toltal 75 しいれ業者詳細を表示

Baoji Guokang Healthchem co.,ltd

^1YR

Tel: Update Time:2024/11/15

inquire

Factory Supply N-Ethyl-P-Toluenesulfonamide

Amitychem Corporation

^1YR

Tel: Update Time:2023/06/28

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Dayang Chem (Hangzhou) Co., Ltd.

^1YR

Tel: Update Time:2024/06/17

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Henan Tianfu Chemical Co.,Ltd

^1YR

Tel: Update Time:2024/11/15

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Hangzhou ZeErRui Chemical Co., Ltd.

^1YR

Tel: Update Time:2024/03/12

inquire

9. 実際の製品情報