Description

Propanenitrile, 3-(ethyl(4-(2-(6-nitro-2-benzothiazolyl)diazenyl)phenyl)amino)- (CAS No. 88650-97-9) is a high-purity azo dye intermediate with the molecular formula C₁₈H₁₆N₆O₂S. This compound, also known by its IUPAC name 3-[N-ethyl-4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]anilino]propanenitrile, is a specialized chemical designed for advanced research and industrial applications. Its structure features a benzothiazole core with a nitro group and an azo linkage, making it valuable for synthetic chemistry, dye manufacturing, and material science studies. The product is rigorously tested for purity and stability, ensuring reliable performance in sensitive applications. Available in various quantities, it is packaged under controlled conditions to maintain integrity.

Properties

• CAS Number: 88650-97-9
• Complexity: 580
• IUPAC Name: 3-[N-ethyl-4-[(6-nitro-1,3-benzothiazol-2-yl)azo]anilino]propanenitrile
• InChI: InChI=1S/C18H16N6O2S/c1-2-23(11-3-10-19)14-6-4-13(5-7-14)21-22-18-20-16-9-8-15(24(25)26)12-17(16)27-18/h4-9,12H,2-3,11H2,1H3
• InChI Key: PWUVCFDFTBWAFJ-UHFFFAOYSA-N
• Exact Mass: 380.10554495
• Molecular Formula: C18H16N6O2S
• Molecular Weight: 380.4
• SMILES: CCN(CCC#N)C1=CC=C(C=C1)N=NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]
• Topological: 139
• Monoisotopic Mass: 380.10554495
• Synonyms: Propanenitrile, 3-[ethyl[4-[(6-nitro-2-benzothiazolyl)azo]phenyl]amino]-, 3-[ethyl[4-[(6-nitrobenzothiazol-2-yl)azo]phenyl]amino]propiononitrile, EINECS 247-055-9, 3-(Ethyl(4-((6-nitrobenzothiazol-2-yl)azo)phenyl)amino)propiononitrile, DTXSID3067104, Benzothiazole, 2-((p-(N-(2-cyanoethyl)-N-ethylamino)phenylazo)-6-nitro-, Propanenitrile, 3-(ethyl(4-((6-nitro-2-benzothiazolyl)azo)phenyl)amino)-, Propanenitrile, 3-(ethyl(4-(2-(6-nitro-2-benzothiazolyl)diazenyl)phenyl)amino)-, 88650-97-9, Propanenitrile, 3-[ethyl[4-[2-(6-nitro-2-benzothiazolyl)diazenyl]phenyl]amino]-, DTXCID9037323, Propanenitrile, 3-ethyl4-(6-nitro-2-benzothiazolyl)azophenylamino-, 247-055-9, 618-190-4, 25510-81-0, 3-[N-ethyl-4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]anilino]propanenitrile, SCHEMBL17522752, SCHEMBL21357710, PWUVCFDFTBWAFJ-UHFFFAOYSA-N, DB-251976, NS00027907, 3-(ethyl{4-[(E)-(6-nitro-1,3-benzothiazol-2-yl)diazenyl]phenyl}amino)propanenitrile

Application

This compound is primarily used as a key intermediate in the synthesis of azo dyes, particularly for textiles and specialty coatings. Its benzothiazole and nitro functional groups contribute to chromophoric properties, making it suitable for light-absorbing applications. Researchers also explore its potential in photodynamic therapy and organic electronics due to its conjugated structure. Additionally, it serves as a model compound for studying azo dye degradation pathways in environmental science.

Safety and Hazards

GHS Hazard Statements

• Not Classified
• Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

Hazard Classes and Categories

• Not Classified

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