4-(4-Chlorophenoxy)aniline

Base Information

• Chemical Name: 4-(4-Chlorophenoxy)aniline
• CAS No.: 101-79-1
• Molecular Formula: C12H10ClNO
• Molecular Weight: 219.671
• Hs Code.: 29222990
• European Community (EC) Number: 202-976-5
• NSC Number: 75571
• DSSTox Substance ID: DTXSID1020275
• Nikkaji Number: J55.365D
• Wikidata: Q63088169
• ChEMBL ID: CHEMBL1521156
• Mol file: 101-79-1.mol

Synonyms:4-(4-Chlorophenoxy)aniline;101-79-1;4-Amino-4'-chlorodiphenyl ether;Benzenamine, 4-(4-chlorophenoxy)-;p-(p-Chlorophenoxy)aniline;4-(4-Chlorophenoxy)benzenamine;4-Chloro-4'-aminodiphenyl ether;Aniline, p-chlorophenoxy-;4-Amino-4-chlorodiphenyl ether;4'-Chloro-4-aminobiphenyl ether;NSC 75571;ANILINE, p-(p-CHLOROPHENOXY)-;4-Chloro-4'-aminodiphenylether;EINECS 202-976-5;BRN 0782540;4-(4'-chlorophenoxy)aniline;4-Amino-4'-chlorodiphenylether;CHEMBL1521156;DTXSID1020275;4-[(4-chlorophenyl)oxy]aniline;[4-(4-chlorophenoxy)phenyl]amine;MFCD00043925;3-13-00-00999 (Beilstein Handbook Reference);4-Amino-4`-chloro-diphenylether;NSC75571;4-chlorophenoxyaniline;WLN: ZR DOR DG;4-(4-chlorphenoxy)anilin;Cambridge id 5128184;NCIOpen2_004533;Oprea1_021499;CBDivE_002845;MLS000532683;DTXCID10275;SCHEMBL177721;4-(4'-chlorophenoxy) aniline;4-(4-chlorophenyloxy) aniline;4-amino-4'-chloro diphenylether;4'-Chloro-4-Amino Diphenylether;4'-chloro-4-amino diphenyl ether;4-(4-chloro-phenoxy)-phenylamine;4-Amino-4/'-chlorodiphenyl ether;4-Amino-4\'-chlorodiphenyl ether;HMS2483B24;4-(4-Chlorophenoxy)aniline, 97%;Tox21_200985;BDBM50334279;NSC-75571;STK360048;AKOS000101561;AM82873;LS-7262;PS-7880;SB79369;NCGC00245707-01;NCGC00245707-02;NCGC00258538-01;AC-15759;CAS-101-79-1;SMR000140121;SY035502;BB 0237088;CS-0100482;FT-0617510;A26493;EN300-116842;SR-01000196380;SR-01000196380-1;W-109379;BRD-K58076685-001-06-5;Q63088169;Z57124587

Chemical Property of 4-(4-Chlorophenoxy)aniline

Chemical Property:

• Appearance/Colour: Dark powder
• Vapor Pressure: 0.000306mmHg at 25°C
• Melting Point: 101 °C
• Refractive Index: 1.627
• Boiling Point: 349.8 °C at 760 mmHg
• PKA: 4.60±0.10(Predicted)
• Flash Point: 165.3 °C
• PSA: 35.25000
• Density: 1.26 g/cm³
• LogP: 4.29570
• Storage Temp.: 2-8°C
• Water Solubility.: Insoluble in water.
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 219.0450916
• Heavy Atom Count: 15
• Complexity: 184

Purity/Quality:

99% ^*data from raw suppliers

4-Amino-4'-chlorodiphenyl Ether min. 98.0 % ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-40-43-41-37/38-22
• Safety Statements: 26-36/37/39-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1N)OC2=CC=C(C=C2)Cl
• Uses: It is used as an active pharmaceutical intermediate.

Technology Process of 4-(4-Chlorophenoxy)aniline

There total 14 articles about 4-(4-Chlorophenoxy)aniline 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: 99.0%

4-(4-chlorophenoxy)nitrobenzene (1836-74-4) → 4-amino-4'-chlorodiphenyl ether (101-79-1)

Guidance literature:

With hydrazine hydrate; In water; at 110 ℃; Sealed tube; Green chemistry;

DOI:10.1039/c7gc00986k

Reference yield: 95.0%

4-chloro-phenol (106-48-9,82344-39-6) + 4-bromo-aniline (106-40-1) → 4-amino-4'-chlorodiphenyl ether (101-79-1)

Guidance literature:

With sodium hydroxide; In neat (no solvent); at 90 ℃; for 6h; Green chemistry;

DOI:10.1007/s10562-019-03070-5

Reference yield: 75.0%

→ 4-amino-4'-chlorodiphenyl ether (101-79-1)

Guidance literature:

upstream raw materials:

4-(4-chlorophenoxy)nitrobenzene

1-bromo-4-(4-chlorophenoxy)benzene

N-acetyl-4-(4-chlorophenoxy)anilino β-D-glucopyranoside

4-chloro-phenol

Downstream raw materials:

1-[4-(4-chloro-phenoxy)-phenyl]-biguanide

[4-(4-chloro-phenoxy)-phenyl]-guanidine

1-bromo-4-(4-chlorophenoxy)benzene

1-chloro-4-(4-iodophenoxy)benzene

Refernces

• 1、 Ai, Yongjian,He, Mengqi,Zhang, Feng,Long, Yang,Li, Yunzheng,Han, Qiang,Ding, Mingyu,Sun, Hong-Bin,Liang, Qionglin. "Metallo-supramolecular polymer engineered porous carbon framework encapsulated stable ultra-small nanoparticles: A general approach to construct highly dispersed catalysts". . p. 16680 - 16689. Retrieved 2018.
• 2、 Bao, Hongjie,Li, Yunong,Liu, Lei,Ai, Yongjian,Zhou, Junjie,Qi, Li,Jiang, Ruihang,Hu, Zenan,Wang, Jingting,Sun, Hongbin,Liang, Qionglin. "Ultrafine FeCu Alloy Nanoparticles Magnetically Immobilized in Amine-Rich Silica Spheres for Dehalogenation-Proof Hydrogenation of Nitroarenes". . p. 14418 - 14424. Retrieved 2018.
• 3、 Blake, Steven,Thanissery, Rajani,Rivera, Alissa J.,Hixon, Mark S.,Lin, Mingliang,Theriot, Casey M.,Janda, Kim D.. "Salicylanilide Analog Minimizes Relapse of Clostridioides difficile Infection in Mice". . p. 6898 - 6908. Retrieved 2020/07/28.