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

Downstream Products

• 5369-17-5 m-(n-butyl)-aniline 

Relevant articles and documents

A Systematic Study on the Synthesis of n-Butyl Substituted 8-Aminoquinolines

(Chemical Equation Presented) A systematic study on the synthesis of 8-aminoquinoline derivatives with an n-butyl group at each alternate position of the quinoline ring was carried out. Skraup Reaction and its Doebner-von Miller variation were used to obtain most of the quinoline ring except for the 2-butyl-8-aminoquinolines and 4-butyl-8-aminoquinolines where the commercially available methylquinoline derivatives were used as precursors. The structures of the synthesized compounds were characterized by FTIR, 1H-NMR, COSY, 13C-NMR and HRMS spectra.

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.