20651-76-7

Basic information

• Product Name: 1-butyl-3-nitrobenzene
• Synonyms: 1-butyl-3-nitrobenzene;3-Butyl-1-nitrobenzene;Einecs 243-943-5;3-Nitro-n-butylbenzene
• CAS NO: 20651-76-7
• Molecular Formula: C₁₀H₁₃NO₂
• Molecular Weight: 179.21572
• EINECS: 243-943-5
• Mol File: 20651-76-7.mol
• Article Data: 9

Chemical Properties

• Melting Point: 1°C (estimate)
• Boiling Point: 281.75°C (estimate)
• Flash Point: 117.1°C
• Appearance: /
• Density: 1.0699 (estimate)
• Vapor Pressure: 0.0081mmHg at 25°C
• Refractive Index: 1.5301 (estimate)
• CAS DataBase Reference: 1-butyl-3-nitrobenzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-butyl-3-nitrobenzene(20651-76-7)
• EPA Substance Registry System: 1-butyl-3-nitrobenzene(20651-76-7)

Safety Data

• Hazardous Substances Data: 20651-76-7(Hazardous Substances Data)

Usage

Physical state

Pale yellow liquid

Odor

Faint, sweet

Uses

a. Solvent in rubber and plastics production
b. Key ingredient in dye and pigment production
c. Intermediate for pharmaceuticals and organic compounds manufacturing

Safety precautions

a. Flammable
b. Potential for skin, eye, and respiratory irritation

InChI:InChI=1/C10H13NO2/c1-2-3-5-9-6-4-7-10(8-9)11(12)13/h4,6-8H,2-3,5H2,1H3

Upstream product

• 3663-22-7 4-n-butyl-2-nitroaniline 
• 104-51-8 1-butylbenzene 
• 104-13-2 4-Butylaniline 
• 20651-75-6 1-butyl-4-nitro-benzene 
• 3663-20-5 N-(4-butylphenyl)acetamide 
• 3663-21-6 N-(4-butyl-2-nitrophenyl)acetamide 
• 1126-78-9 N-(n-butyl)aniline 
• 62-53-3 aniline 
• 122-56-5 tributyl borane 
• 1461-25-2 tetra-n-butyltin(IV) 
• 585-79-5 m-nitrobromobenzene 
• 69190-62-1 pinacol butylboronate 

Downstream Products

• 5369-17-5 m-(n-butyl)-aniline 

Relevant articles and documents

Regioselective mononitration of aromatic compounds with N2O5 by acidic ionic liquids via continuous flow microreactor

We employed N2O5 as highly active nitrating reagents and a host of acidic ionic liquid as catalysts in these reactions which were conducted in a continuous flow microreactor. When we utilized PEG400-DAIL as catalysts, the conversion of toluene was increased to 95.5 % and the yield of mononitration product (o/p ratio reached 1.10) significantly improved to 99 %, meanwhile the reaction time was drastically shortened to 1/120 of the conventional reactor. Nitration in ionic liquids was surveyed using a host of aromatic substrates with similar reactivity. The ionic liquid recycling procedures had also been devised.

Alkylboronic esters from copper-catalyzed borylation of primary and secondary alkyl halides and pseudohalides

Easy access: An unprecedented copper-catalyzed cross-coupling reaction of the title compounds with diboron reagents is described (see scheme; Ts=4-toluenesulfonyl). This reaction can be used to prepare both primary and secondary alkylboronic esters having diverse structures and functional groups. The resulting products would be difficult to access by other means. Copyright

Nitration of alkylbenzenes in acid medium: Regioselectivity of the reaction and acidity of the medium

Isomer distribution in the nitration of toluene and its homologs with nitric acid in acid media (trifluoroacetic acid and solutions of sulfuric acid in acetic acid) is determined by the acidity of the medium, the degree of para substitution changing in parallel with the acidity. The ortholpara regioselectivity is governed by the polarity of the transition state. The sensitivity of the ortholpara ratio to variation of the acidity of the medium and reaction temperature is directly related to steric effects of the alkyl groups.