(4-Chlorophenyl)diphenylamine

Base Information

• Chemical Name: (4-Chlorophenyl)diphenylamine
• CAS No.: 4316-56-7
• Molecular Formula: C18H14ClN
• Molecular Weight: 279.769
• Hs Code.: 2921420090
• NSC Number: 105663
• DSSTox Substance ID: DTXSID00295833
• Nikkaji Number: J1.220.692E
• Wikidata: Q72456776
• Mol file: 4316-56-7.mol

Synonyms:4-chloro-n,n-diphenylaniline;(4-CHLOROPHENYL)DIPHENYLAMINE;4316-56-7;NSC105663;(p-Chlorophenyl)diphenylamine;SCHEMBL1133413;DTXSID00295833;4-chloranyl-N,N-diphenyl-aniline;ADAL1288651;Benzenamine, 4-chloro-N,N-diphenyl-;NSC-105663;N16886;A826191

Chemical Property of (4-Chlorophenyl)diphenylamine

Chemical Property:

• Vapor Pressure: 9.14E-07mmHg at 25°C
• Melting Point: 103~107°C
• Refractive Index: 1.651
• Boiling Point: 404.9 °C at 760 mmHg
• PKA: -3.51±0.30(Predicted)
• Flash Point: 198.7 °C
• PSA: 3.24000
• Density: 1.203 g/cm³
• LogP: 5.80980
• XLogP3: 6.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 279.0814771
• Heavy Atom Count: 20
• Complexity: 255

Purity/Quality:

98%min ^*data from raw suppliers

(4-CHLOROPHENYL)DIPHENYLAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)Cl

Technology Process of (4-Chlorophenyl)diphenylamine

There total 16 articles about (4-Chlorophenyl)diphenylamine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

bromochlorobenzene (106-39-8) + diphenylamine (122-39-4) → (p-chlorophenyl)diphenylamine (4316-56-7)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; palladium 10% on activated carbon; sodium t-butanolate; In 1,3,5-trimethyl-benzene; for 24h; Inert atmosphere; Reflux;

DOI:10.1002/adsc.200800417

Reference yield: 89.0%

1-Chloro-4-iodobenzene (637-87-6) + diphenylamine (122-39-4) → (p-chlorophenyl)diphenylamine (4316-56-7)

Guidance literature:

With potassium phosphate; 8-quinolinol; copper(l) chloride; In N,N-dimethyl-formamide; at 120 ℃; for 24h; Inert atmosphere;

DOI:10.1002/cjoc.201200247

Reference yield: 80.0%

→ (p-chlorophenyl)diphenylamine (4316-56-7)

Guidance literature:

With sodium hydride; magnesium bromide; In 1,2-dichloro-benzene; at 135 ℃; for 2h; Inert atmosphere;

With iron(II) acetylacetonate; In 1,2-dichloro-benzene; at 165 ℃; for 14h; Inert atmosphere;

upstream raw materials:

diphenylamine

bromochlorobenzene

1-Chloro-4-iodobenzene

para-dichlorobenzene

Downstream raw materials:

4-(diphenylamino)phenylboronic pinacol ester

9-(4-chlorophenyl)-9H-carbazole

Refernces

• 1、 -. "DIARYL AMINE COMPOUND AND METHOD FOR PRODUCING THE SAME". Paragraph 0218; 0242-0246. . Retrieved 2021/03/16.
• 2、 -. "Arylamine-based organic compound and organic electroluminescent device containing same". Paragraph 0236-0238. . Retrieved 2021/09/21.