3-Chloro-4-(trifluoromethoxy)aniline

Base Information

• Chemical Name: 3-Chloro-4-(trifluoromethoxy)aniline
• CAS No.: 64628-73-5
• Molecular Formula: C7H5ClF3NO
• Molecular Weight: 211.571
• Hs Code.: 29222990
• European Community (EC) Number: 641-207-1
• DSSTox Substance ID: DTXSID10378742
• Wikidata: Q72460074
• Mol file: 64628-73-5.mol

Synonyms:3-Chloro-4-(trifluoromethoxy)aniline;64628-73-5;3-chloro-4-trifluoromethoxyaniline;Benzenamine, 3-chloro-4-(trifluoromethoxy)-;MFCD00190126;3-chloro-4-( trifluoromethoxy) aniline;3-chloro-4-(trifluoromethoxy)phenylamine;SCHEMBL236764;3-chloro4-trifluoromethoxyaniline;DTXSID10378742;3-chloro-4-trifluoromethoxy-aniline;AKOS015848892;AC-3733;CS-W015038;DS-1290;PS-8001;SB79175;3-chloro-4-trifluoromethoxy-phenylamine;3-chloranyl-4-(trifluoromethyloxy)aniline;SY018903;A8831;AM20060380;C2528;FT-0615372;1-Amino-3-Chloro-4-(Trifluoromethoxy)Benzene;EN300-198458;A834835;3-Chloro-4-(trifluoromethoxy)phenylamine, AldrichCPR

Chemical Property of 3-Chloro-4-(trifluoromethoxy)aniline

Chemical Property:

• Melting Point: 29-30°C
• Boiling Point: 224.4 °C at 760 mmHg
• PKA: 2.68±0.10(Predicted)
• Flash Point: 89.5 °C
• PSA: 35.25000
• Density: 1.468g/cm³
• LogP: 3.40200
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Water Solubility.: Slightly soluble in water.
• XLogP3: 3.2
• 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% ^*data from raw suppliers

3-Chloro-4-(trifluoromethoxy)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T; Xi
• Hazard Codes: Xi,T,Xn
• Statements: 20/21/22-36/37/38-43-36-22
• Safety Statements: 26-36/37/39-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1N)Cl)OC(F)(F)F
• Uses: 3-Chloro-4-(trifluoromethoxy)aniline is used as a primary and secondary intermediate in chemical synthesis.

Technology Process of 3-Chloro-4-(trifluoromethoxy)aniline

There total 2 articles about 3-Chloro-4-(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: 86.0%

3-chloro-4-trifluoroethoxynitrobenzene (158579-81-8) → 3-chloro-4-trifluoromethoxy-aniline (64628-73-5)

Guidance literature:

With hydrogenchloride; tin(ll) chloride; In ethanol; water; at 30 - 50 ℃; for 2.5h;

Reference yield:

3-chloro-4-trifluoroethoxynitrobenzene (158579-81-8) + stannous chloride (7772-99-8) → 3-chloro-4-trifluoromethoxy-aniline (64628-73-5)

Guidance literature:

In hydrogenchloride; ethanol;

Reference yield: 100.0%

Benzoyl isothiocyanate (532-55-8) + 3-chloro-4-trifluoromethoxy-aniline (64628-73-5) → 1-benzoyl-3-[3-chloro-4-(trifluoromethoxy)phenyl]thiourea

Guidance literature:

In acetone; at 75 ℃; for 1.5h; Inert atmosphere;

upstream raw materials:

3-chloro-4-trifluoroethoxynitrobenzene

stannous chloride

Downstream raw materials:

1-(2-Chloro-benzoyl)-3-(3-chloro-4-trifluoromethoxy-phenyl)-urea

1-(3-Chloro-4-trifluoromethoxy-phenyl)-3-(2,6-dichloro-benzoyl)-urea

1-(3-Chloro-4-trifluoromethoxy-phenyl)-3-(2-methyl-benzoyl)-urea

1-(3-Chloro-4-trifluoromethoxy-phenyl)-3-(2,6-difluoro-benzoyl)-urea