4-Chloro-3-(trifluoromethoxy)aniline

Base Information

• Chemical Name: 4-Chloro-3-(trifluoromethoxy)aniline
• CAS No.: 97608-50-9
• Molecular Formula: C7H5ClF3NO
• Molecular Weight: 211.5689096
• Hs Code.: 2922299090
• European Community (EC) Number: 812-820-3
• DSSTox Substance ID: DTXSID90539733
• Wikidata: Q82415534
• Mol file: 97608-50-9.mol

Synonyms:4-CHLORO-3-(TRIFLUOROMETHOXY)ANILINE;97608-50-9;Benzenamine, 4-chloro-3-(trifluoromethoxy)-;SCHEMBL1555931;DTXSID90539733;RWTSQATWCKAOBB-UHFFFAOYSA-N;MFCD09832255;AKOS015956746;CS-W022144;SB78738;PS-11461;4-Chloro-3-(trifluoroMethoxy)aniline, 97%;A858615

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

Chemical Property:

• Refractive Index: 1.4940
• Boiling Point: 227.0±35.0 °C(Predicted)
• PKA: 2.73±0.10(Predicted)
• PSA: 35.25000
• Density: 1.468±0.06 g/cm3(Predicted)
• LogP: 3.40200
• 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%Min ^*data from raw suppliers

4-Chloro-3-(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=C1N)OC(F)(F)F)Cl
• Uses: 4-Chloro-3-(trifluoromethoxy)aniline is widely utilized as an intermediate in organic synthesis.

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

There total 4 articles about 4-Chloro-3-(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:

2,6-Dichlorophenol (87-65-0) → 4-chloro-3-(trifluoromethoxy) aniline (97608-50-9)

Guidance literature:

Multi-step reaction with 4 steps

1: 77 percent / NaOH / H₂O / 0.5 h / 90 °C

2: 24.5 percent / Cl₂ / PCl₅ / 11.5 h / 195 °C

3: HF / 6 h / 140 - 160 °C / 30002.4 Torr

4: 89 percent Turnov_. / NaNH₂ / liquid ammonia / -28 deg C, 20 min; r.t., 1.5 h

With sodium hydroxide; hydrogen fluoride; chlorine; sodium amide; phosphorus pentachloride; In ammonia; water;

Reference yield:

2,6-dichloroanisole (1984-65-2) → 4-chloro-3-(trifluoromethoxy) aniline (97608-50-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 24.5 percent / Cl₂ / PCl₅ / 11.5 h / 195 °C

2: HF / 6 h / 140 - 160 °C / 30002.4 Torr

3: 89 percent Turnov_. / NaNH₂ / liquid ammonia / -28 deg C, 20 min; r.t., 1.5 h

With hydrogen fluoride; chlorine; sodium amide; phosphorus pentachloride; In ammonia;

Reference yield:

1,3-Dichloro-2-trichloromethoxy-benzene (97608-48-5) → 4-chloro-3-(trifluoromethoxy) aniline (97608-50-9)

Guidance literature:

Multi-step reaction with 2 steps

1: HF / 6 h / 140 - 160 °C / 30002.4 Torr

2: 89 percent Turnov_. / NaNH₂ / liquid ammonia / -28 deg C, 20 min; r.t., 1.5 h

With hydrogen fluoride; sodium amide; In ammonia;

upstream raw materials:

1,3-dichloro-2-(trifluoromethoxy)benzene

2,6-Dichlorophenol

2,6-dichloroanisole

1,3-Dichloro-2-trichloromethoxy-benzene

Downstream raw materials:

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

Refernces