100-29-8

Basic information

• Product Name: 4-NITROPHENETOLE
• Synonyms: P-NITROPHENETOLE;4-NITROPHENETOL;4-NITROPHENETOLE;1-ETHOXY-4-NITROBENZENE;1-ethoxy-4-nitro-benzen;4-Ethoxynitrobenzene;4-Nitroethoxy-benzene;4-Nitrophenylethylether
• CAS NO: 100-29-8
• Molecular Formula: C₈H₉NO₃
• Molecular Weight: 167.16
• EINECS: 202-837-9
• Product Categories: Phenetole
• Mol File: 100-29-8.mol

Chemical Properties

• Melting Point: 56-60 °C
• Boiling Point: 112-115 °C (3 mmHg)
• Flash Point: 134.1°C
• Appearance: brown crystalline solid
• Density: 1.1176
• Vapor Pressure: 0.00555mmHg at 25°C
• Refractive Index: 1.5475 (estimate)
• Stability: Stable. Incompatible with strong oxidizing agents.
• CAS DataBase Reference: 4-NITROPHENETOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-NITROPHENETOLE(100-29-8)
• EPA Substance Registry System: 4-NITROPHENETOLE(100-29-8)

Safety Data

• Hazard Codes: Xi
• Safety Statements: 24/25-22
• RTECS: DA0600000
• Hazardous Substances Data: 100-29-8(Hazardous Substances Data)

Usage

Chemical Properties

brown crystalline solid

Uses

Dyes and other intermediates.

Synthesis Reference(s)

Canadian Journal of Chemistry, 57, p. 1887, 1979 DOI: 10.1139/v79-299Journal of the American Chemical Society, 88, p. 1839, 1966 DOI: 10.1021/ja00960a062

InChI:InChI=1/C8H9NO3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3

Upstream product

• 100-25-4 para-dinitrobenzene 
• 64-17-5 ethanol 
• 151-50-8 potassium cyanide 
• 74-96-4 ethyl bromide 
• 100-02-7 4-nitro-phenol 
• 824-78-2 4-nitrophenol sodium salt 
• 75-00-3 chloroethane 
• 1080-32-6 O,O-diethyl benzylphosphonate 
• 100-17-4 para-methoxynitrobenzene 
• 640-60-8 toluene-4-sulfonic acid phenyl ester 
• 28341-54-0 4-(4-nitrophenoxy)butanoic acid 
• 563-17-7 potassium ethyl sulfate 
• 75-03-6 ethyl iodide 
• 78-39-7 Triethyl orthoacetate 

Downstream Products

• 27060-27-1 pyridine-2-carbothioic acid p-phenetidide 
• 60457-49-0 N-(4-ethoxy-phenyl)-p-phenylenediamine 
• 22883-85-8 6-ethoxy-quinoline 
• 95832-25-0 4-p-Phenetidino-phenol 
• 130728-50-6 bis-(2-ethoxy-5-nitro-phenyl)-methane 
• 34683-98-2 2-chloromethyl-4-nitro-phenetole 
• 17609-82-4 N,N-diethyl-para-aminophenole 
• 4792-83-0 N,N'-bis(4-ethoxyphenyl)-diazene N-oxide 
• 100-17-4 para-methoxynitrobenzene 
• 62-44-2 4-ethoxyacetanilide 
• 610-54-8 2,4-dinitro-1-ethoxybenzene 
• 38246-95-6 N-hydroxyphenetidine 
• 5493-71-0 2-(2-chloro-4-nitrophenoxy)ethyl-1-yl 
• 58244-42-1 2-bromo-1-ethoxy-4-nitrobenzene 

Relevant articles and documents

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A photoinduced iron-catalyzed ipso-nitration of aryl halides with KNO2 has been developed, in which aryl iodides, bromides, and some of aryl chlorides are feasible. The mechanism investigations show that the in situ formed iron complex by FeSO4, KNO2, and 1,10-phenanthroline acts as the light-harvesting photocatalyst with a longer lifetime of the excited state, and the reaction undergoes a photoinduced single-electron transfer (SET) process. This work represents an example for the photoinduced iron-catalyzed Ullmann-type couplings.

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Mustard Carbonate Analogues as Sustainable Reagents for the Aminoalkylation of Phenols

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