5-Chloro-2-(trifluoromethoxy)aniline

Base Information

• Chemical Name: 5-Chloro-2-(trifluoromethoxy)aniline
• CAS No.: 326-64-7
• Molecular Formula: C7H5 Cl F3 N O
• Molecular Weight: 211.571
• Hs Code.: 2922299090
• European Community (EC) Number: 682-066-6
• DSSTox Substance ID: DTXSID20448829
• Wikidata: Q82267999
• Mol file: 326-64-7.mol

Synonyms:5-chloro-2-(trifluoromethoxy)aniline;326-64-7;5-Chloro-2-trifluoro Methoxy aniline;MFCD06410919;Benzenamine, 5-chloro-2-(trifluoromethoxy)-;5-Chloro-2-(trifluoromethoxy)benzenamine;SCHEMBL7082410;DTXSID20448829;KSBUTBXMRFVLND-UHFFFAOYSA-N;BBL100860;STL554654;AKOS005255535;SB79376;5-Chloro-2-trifluoromethoxy-phenylamine;AC-13874;DS-14606;SY020755;A5840;CS-0042663;FT-0688196;EN300-222541;A875558;J-517285

Chemical Property of 5-Chloro-2-(trifluoromethoxy)aniline

Chemical Property:

• Vapor Pressure: 0.155mmHg at 25°C
• Refractive Index: 1.502
• Boiling Point: 214.5°Cat760mmHg
• PKA: 1.39±0.10(Predicted)
• Flash Point: 83.5°C
• PSA: 35.25000
• Density: 1.468g/cm³
• LogP: 3.40200
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 211.0011760
• Heavy Atom Count: 13
• Complexity: 176

Purity/Quality:

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

5-Chloro-2-(trifluoromethoxy)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)N)OC(F)(F)F
• Uses: 5-Chloro-2-(trifluoromethoxy)aniline

Technology Process of 5-Chloro-2-(trifluoromethoxy)aniline

There total 1 articles about 5-Chloro-2-(trifluoromethoxy)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:

4-chloro-2-nitro-1-(trifluoromethoxy)benzene (448-38-4) → 2-amino-4-chlorotrifluoro-methoxybenzene (326-64-7)

Guidance literature:

aluminum nickel; In methanol;

Reference yield: 100.0%

2-amino-4-chlorotrifluoro-methoxybenzene (326-64-7) → (5-chloro-2-(trifluoromethoxy)phenyl)hydrazine hydrochloride

Guidance literature:

2-amino-4-chlorotrifluoro-methoxybenzene; With hydrogenchloride; acetic acid; sodium nitrite; In water; at -10 - 0 ℃; for 0.916667h;

With hydrogenchloride; tin(II) chloride dihdyrate; In water; at -10 - 0 ℃; for 2.16667h;

Reference yield: 90.0%

thiophosgene (463-71-8) + 2-amino-4-chlorotrifluoro-methoxybenzene (326-64-7) → 4-chloro-2-isothiocyanato-1-(trifluoromethoxy)benzene

Guidance literature:

With sodium hydrogencarbonate; In dichloromethane; water; at 0 - 20 ℃; for 18h;

upstream raw materials:

4-chloro-2-nitro-1-(trifluoromethoxy)benzene

Downstream raw materials:

N-[5-chloro-2-(trifluoromethoxy)phenyl]-1-benzofuran-2-sulfonamide

5-chloro-2-(trifluoromethoxy)benzene-1-sulfonyl chloride

1-bromo-3-chloro-6-(trifluoromethoxy)benzene

Refernces