1205-71-6 | 4-Chlorodiphenylamine

Packsize	Purity	Availability	Price	Discounted Price
250mg	95%	in stock	$65.00	$45.00
1g	95%	in stock	$127.00	$89.00
5g	95%	in stock	$356.00	$249.00
25g	95%	in stock	$1,132.00	$793.00
100g	95%	in stock	$3,372.00	$2,360.00

Description

• Catalog Number: AI13035
• Chemical Name: 4-Chlorodiphenylamine
• CAS Number: 1205-71-6
• Molecular Formula: C12H10ClN
• Molecular Weight: 203.6675
• MDL Number: MFCD01027200
• SMILES: C1=CC=C(C=C1)NC2=CC=C(C=C2)Cl
• NSC Number: 231508

Computed Properties

• Complexity: 158
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 1
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 3.8

Upstream Synthesis Route

4-Chloro-N-phenylaniline, also known as 4-Chloroaniline, is a versatile chemical compound that finds wide application in various chemical synthesis processes. This compound serves as a valuable building block in the production of pharmaceuticals, dyes, and agrochemicals. Due to its unique molecular structure, 4-Chloro-N-phenylaniline is particularly important in the creation of complex organic molecules through reactions such as nucleophilic substitution and diazotization. Its role in these reactions facilitates the formation of new carbon-nitrogen bonds, leading to the synthesis of diverse compounds with interesting properties and functionalities. Additionally, 4-Chloro-N-phenylaniline can be utilized as a key intermediate in the preparation of heterocyclic compounds and coordination complexes, further expanding its utility in chemical synthesis applications. Its compatibility with a variety of reaction conditions and its ability to undergo multiple transformations make 4-Chloro-N-phenylaniline a valuable asset in the realm of synthetic chemistry.

Literature

• Characterization of cytochrome P450-mediated bioactivation of a compound containing the chemical scaffold, 4,5-dihydropyrazole-1-carboxylic acid-(4-chlorophenyl amide), to a chemically reactive p-chlorophenyl isocyanate intermediate in human liver microsomes.

  Chemical research in toxicology 20090901

• Bioactivation of a dihydropyrazole-1-carboxylic acid-(4-chlorophenyl amide) scaffold to a putative p-chlorophenyl isocyanate in rat liver microsomes and in vivo in rats.

  Chemical research in toxicology 20080501

• Application of on-line electrochemical derivatization coupled with high-performance liquid chromatography electrospray ionization mass spectrometry for detection and quantitation of (p-chlorophenyl)aniline in biological samples.

  Analytical chemistry 20060401