Description

Propanenitrile, 3,3′-((4-(2-(2-chloro-4-nitrophenyl)diazenyl)phenyl)imino)bis- (CAS No. 4058-30-4) is a high-purity azo dye intermediate with the molecular formula C₁₈H₁₅ClN₆O₂. Also known as Disperse Orange 44, this compound is widely utilized in synthetic chemistry and material science research. Its IUPAC name is 3-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-cyanoethyl)anilino]propanenitrile, reflecting its intricate molecular structure featuring a chloro-nitro-substituted phenyl diazenyl group and cyanoethyl functionalities. This product is supplied as a fine powder or crystalline solid, with consistent batch-to-batch quality ideal for precision applications. Suitable for laboratory use, it is handled under controlled conditions to ensure stability and purity. Store in a cool, dry place away from light and oxidizing agents.

Properties

• CAS Number: 4058-30-4
• Complexity: 590
• IUPAC Name: 3-[4-(2-chloro-4-nitro-phenyl)azo-N-(2-cyanoethyl)anilino]propanenitrile
• InChI: InChI=1S/C18H15ClN6O2/c19-17-13-16(25(26)27)7-8-18(17)23-22-14-3-5-15(6-4-14)24(11-1-9-20)12-2-10-21/h3-8,13H,1-2,11-12H2
• InChI Key: ZXXVVTBKBDDTSE-UHFFFAOYSA-N
• Exact Mass: 382.0945014
• Molecular Formula: C18H15ClN6O2
• Molecular Weight: 382.8
• SMILES: C1=CC(=CC=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)N(CCC#N)CCC#N
• Topological: 121
• Monoisotopic Mass: 382.0945014
• Synonyms: Disperse Orange 44, 12223-26-6, EINECS 223-765-4, Propanenitrile, 3,3′-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]imino]bis-, 3,3′-((4-((2-Chloro-4-nitrophenyl)azo)phenyl)imino)bispropanenitrile, DTXSID5063281, 4-((2-Chloro-4-nitrophenyl)azo)-N,N-biscyanoethylaniline, 3,3′-((p-((2-Chloro-4-nitrophenyl)azo)phenylimino)bispropionitrile, 3,3′-((4-((2-Chloro-4-nitrophenyl)azo)phenyl)imino)bis(propiononitrile), 3,3′-[[4-[(2-Chloro-4-nitrophenyl)azo]phenyl]imino]bis[propiononitrile], Propanenitrile, 3,3′-((4-((2-chloro-4-nitrophenyl)azo)phenyl)imino)bis-, Propanenitrile, 3,3′-((4-(2-(2-chloro-4-nitrophenyl)diazenyl)phenyl)imino)bis-, Propanenitrile, 3,3′-[[4-[2-(2-chloro-4-nitrophenyl)diazenyl]phenyl]imino]bis-, 3,3′-[[4-[2-(2-Chloro-4-nitrophenyl)diazenyl]phenyl]imino]bis[propanenitrile], 3,3′-((4-(2-(2-Chloro-4-nitrophenyl)diazenyl)phenyl)imino)bis(propanenitrile), DTXCID9039783, 223-765-4, 602-307-0, 4058-30-4, 3-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-cyanoethyl)anilino]propanenitrile, 57N4LE7K5Y, SCHEMBL13474905, SCHEMBL18179609, ZXXVVTBKBDDTSE-UHFFFAOYSA-N, HY-D0364, CS-0010366, NS00020086

Application

This compound is primarily employed as a key intermediate in the synthesis of disperse dyes for textile and polymer coloration. Researchers utilize it to study azo dye reactivity and photostability in material science applications. It may also serve as a model compound for investigating electron transfer mechanisms in organic semiconductors. Its nitro and cyano groups make it of interest in nonlinear optical material development.

Safety and Hazards

GHS Hazard Statements

• H317 (73.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]
• H411 (69.2%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501

Hazard Classes and Categories

• Skin Sens. 1 (73.1%)
• Aquatic Chronic 2 (69.2%)

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