4746-32-1

Basic information

• Product Name: N-HEXYLANILINE, 98%
• Synonyms: N-n-Hexylaniline, 98%
• CAS NO: 4746-32-1
• Molecular Formula: C₁₂H₁₉N
• Molecular Weight: 177.29
• Product Categories: Amines;C11 to C38;Nitrogen Compounds
• Mol File: 4746-32-1.mol
• Article Data: 141

Chemical Properties

• Boiling Point: 140-145 °C/15 mmHg
• Flash Point: 110 °C
• Appearance: Colorless to brown/Liquid
• Density: 0.8994 g/mL at 25 °C
• Vapor Pressure: 0.0049mmHg at 25°C
• Refractive Index: n20/D 1.5228
• PKA: 5.05±0.50(Predicted)
• CAS DataBase Reference: N-HEXYLANILINE, 98%(CAS DataBase Reference)
• NIST Chemistry Reference: N-HEXYLANILINE, 98%(4746-32-1)
• EPA Substance Registry System: N-HEXYLANILINE, 98%(4746-32-1)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26
• WGK Germany: 3
• Hazardous Substances Data: 4746-32-1(Hazardous Substances Data)

Usage

General Description

N-HEXYLANILINE, 98% is a chemical compound with a purity of 98%. It is most commonly used as an intermediate in the production of dyes, pigments, and other organic compounds. N-HEXYLANILINE is a type of aniline, which is a class of organic compounds derived from benzene, and it is specifically composed of a hexyl group attached to the amine functional group. This chemical is known for its strong odor and is typically used in industrial applications such as textiles, plastics, and rubber manufacturing. N-HEXYLANILINE, 98% is also used as a catalyst in various chemical reactions and as a corrosion inhibitor in metalworking processes. Overall, it is a versatile chemical that has a wide range of industrial applications.

InChI:InChI=1/C12H19N/c1-2-3-4-8-11-13-12-9-6-5-7-10-12/h5-7,9-10,13H,2-4,8,11H2,1H3

Upstream product

• 21369-64-2 n-hexyllithium 
• 52144-59-9 (Z)-(tert-butylsulfanyl)(phenyl)diazene 
• 66-25-1 hexanal 
• 62-53-3 aniline 
• 111-26-2 hexan-1-amine 
• 108-90-7 chlorobenzene 
• 821-41-0 5-Hexen-1-ol 
• 858202-26-3 N-hexyl-N-phenylnitrous amide 
• 108-86-1 bromobenzene 
• 591-50-4 iodobenzene 
• 1483-73-4 diphenyliodonium bromide 
• 98-95-3 nitrobenzene 
• 111-25-1 1-bromo-hexane 
• 103-70-8 Formanilid 

Downstream Products

• 33228-45-4 4-hexylaniline 
• 331963-11-2 butyl 4-(1-hexyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamido)benzoate 
• 300833-95-8 propyl 4-(1-hexyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamido)benzoate 

Relevant articles and documents

Mechanistic Analysis of Metallaphotoredox C-N Coupling: Photocatalysis Initiates and Perpetuates Ni(I)/Ni(III) Coupling Activity

The combined use of reaction kinetic analysis, ultrafast spectroscopy, and stoichiometric organometallic studies has enabled the elucidation of the mechanistic underpinnings to a photocatalytic C-N cross-coupling reaction. Steady-state and ultrafast spect

Solvent-dependent nuclearity, geometry and catalytic activity of [(SPhos)Pd(Ph)Cl]2

The nuclearity and structures of the palladium complex [(SPhos)Pd(Ph)Cl]2 in the solid and solution states are revisited using a combination of Extended X-ray Absorption Fine Structure (EXAFS) spectroscopy, NMR spectroscopy, mass spectrometry,

BF3·Et2O as a metal-free catalyst for direct reductive amination of aldehydes with amines using formic acid as a reductant

A versatile metal- and base-free direct reductive amination of aldehydes with amines using formic acid as a reductant under the catalysis of inexpensive BF3·Et2O has been developed. A wide range of primary and secondary amines and diversely substituted aldehydes are compatible with this transformation, allowing facile access to various secondary and tertiary amines in high yields with wide functional group tolerance. Moreover, the method is convenient for the late-stage functionalization of bioactive compounds and preparation of commercialized drug molecules and biologically relevant N-heterocycles. The procedure has the advantages of simple operation and workup and easy scale-up, and does not require dry conditions, an inert atmosphere or a water scavenger. Mechanistic studies reveal the involvement of imine activation by BF3and hydride transfer from formic acid.

Effect of the ancillary ligand in N-heterocyclic carbene iridium(III) catalyzed N-alkylation of amines with alcohols

A series of air-stable N-heterocyclic carbene (NHC) Ir(III) complexes (Ir1-6), bearing various combinations of chlorine, pyridine and NHC ligands, were assayed for the N-alkylation of amines with alcohols. It was found that Ir3, with two monodentate 1,3-bis-methyl-imidazolylidene (IMe) ligands, emerged as the most active complex. A large variety of amines and primary alcohols were efficiently converted into mono-N-alkylated amines in 53–96% yields. As a special highlight, for the challenging MeOH, selective N-monomethylation could be achieved using KOH as a base under an air atmosphere. Moreover, this catalytic system was successfully applied to the gram-scale synthesis of some valuable compounds.