4-(4-Bromophenoxy)aniline

Base Information

• Chemical Name: 4-(4-Bromophenoxy)aniline
• CAS No.: 31465-35-7
• Molecular Formula: C12H10 Br N O
• Molecular Weight: 264.121
• Hs Code.: 2922299090
• European Community (EC) Number: 625-822-2
• DSSTox Substance ID: DTXSID80353940
• Wikidata: Q82131811
• ChEMBL ID: CHEMBL1478308
• Mol file: 31465-35-7.mol

Synonyms:4-(4-bromophenoxy)aniline;31465-35-7;4-(4-bromophenoxy)benzenamine;MLS000335370;SCHEMBL1372200;CHEMBL1478308;DTXSID80353940;HMS2533C08;4-(4-Bromophenoxy)aniline, 97%;MFCD00459611;STK247696;AKOS000215002;CCG-103145;BS-25270;SMR000250209;CS-0207391;EU-0066787;FT-0727214;EN300-06982;SR-01000389235;J-018434;SR-01000389235-1;BRD-K91791732-001-07-9;Z56939196

Chemical Property of 4-(4-Bromophenoxy)aniline

Chemical Property:

• Vapor Pressure: 1.61E-05mmHg at 25°C
• Melting Point: 104-108 °C
• Boiling Point: 365.1°C at 760 mmHg
• PKA: 4.60±0.10(Predicted)
• Flash Point: 174.6°C
• PSA: 35.25000
• Density: 1.479g/cm³
• LogP: 4.40480
• Storage Temp.: 2-8°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 262.99458
• Heavy Atom Count: 15
• Complexity: 184

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-(4-Bromophenoxy)aniline 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 22-43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1N)OC2=CC=C(C=C2)Br

Technology Process of 4-(4-Bromophenoxy)aniline

There total 6 articles about 4-(4-Bromophenoxy)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: 87.0%

1-(4-nitrophenoxy)-4-bromobenzene (21969-04-0) → 4-(4-bromophenoxy)aniline (31465-35-7)

Guidance literature:

1-(4-nitrophenoxy)-4-bromobenzene; With hydrazine hydrate; In ethanol; at 28 - 30 ℃; for 0.166667h;

In ethanol; water; at 50 - 60 ℃;

DOI:10.1016/j.bmcl.2017.02.025

Reference yield:

4-bromo-phenol (106-41-2) → 4-(4-bromophenoxy)aniline (31465-35-7)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / dimethyl sulfoxide / 70 °C

2: hydrogenchloride; tin(II) chloride hydrate / water / 6 h / Reflux

With hydrogenchloride; tin(II) chloride hydrate; potassium carbonate; In water; dimethyl sulfoxide;

DOI:10.1039/c4md00498a

Reference yield:

diphenylether (101-84-8) → 4-(4-bromophenoxy)aniline (31465-35-7)

Guidance literature:

Multi-step reaction with 3 steps

1: acetic acid anhydride; glacial acetic acid; nitric acid / 25 - 30 °C

2: carbon tetrachloride; bromine

3: iron; concentrated hydrochloric acid; alcohol

With hydrogenchloride; tetrachloromethane; ethanol; bromine; nitric acid; acetic anhydride; iron; acetic acid;

upstream raw materials:

1-(4-nitrophenoxy)-4-bromobenzene

diphenylether

4-nitrophenyl phenyl ether

4-chlorobenzonitrile

Downstream raw materials:

chloro-acetic acid-[4-(4-bromo-phenoxy)-anilide]

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

4,4'-dibromodiphenyl ether

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

Refernces

• 1、 -. "Quinoline derivative as well as preparation method and application thereof (by machine translation)". Paragraph 0258-0260. . Retrieved 2019/11/28.
• 2、 Yang, Liuqing,Liu, Wei,Mei, Hanbing,Zhang, Yuan,Yu, Xiaojuan,Xu, Yufang,Li, Honglin,Huang, Jin,Zhao, Zhenjiang. "Synthesis and biological evaluation of pentanedioic acid derivatives as farnesyltransferase inhibitors". supporting information. p. 671 - 676. Retrieved 2015/04/27.