4-Amino-3-chloro-5-(trifluoromethyl)benzoyl chloride

Base Information

• Chemical Name: 4-Amino-3-chloro-5-(trifluoromethyl)benzoyl chloride
• CAS No.: 63498-15-7
• Molecular Formula: C8H4Cl2F3NO
• Molecular Weight: 258.027
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID10538086
• Wikidata: Q72435012
• Mol file: 63498-15-7.mol

Synonyms:4-AMINO-3-CHLORO-5-(TRIFLUOROMETHYL)BENZOYL CHLORIDE;63498-15-7;4-Amino-3-chloro-5-(trifluoromethyl)-benzoyl chloride;4-Amino-3-chloro-5-(trifluoromethyl)benzoylchloride;SCHEMBL5165740;DTXSID10538086;AKOS016010955;AM61618;D87675;3-chloro-4-amino-5-trifluoromethyl-benzoyl chloride;Benzoyl chloride, 4-amino-3-chloro-5-(trifluoromethyl)-

Chemical Property of 4-Amino-3-chloro-5-(trifluoromethyl)benzoyl chloride

Chemical Property:

• Vapor Pressure: 0.004mmHg at 25°C
• Melting Point: 116-126 °C
• Refractive Index: 1.531
• Boiling Point: 281 °C
• Flash Point: 124 °C
• PSA: 43.09000
• Density: 1.577 g/cm³
• LogP: 3.90120
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 256.9622036
• Heavy Atom Count: 15
• Complexity: 259

Purity/Quality:

4-Amino-3-chloro-5-(trifluoromethyl)-benzoyl chloride 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1C(F)(F)F)N)Cl)C(=O)Cl

Technology Process of 4-Amino-3-chloro-5-(trifluoromethyl)benzoyl chloride

There total 6 articles about 4-Amino-3-chloro-5-(trifluoromethyl)benzoyl chloride 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: 80.0%

4-amino-3-chloro-5-(trifluoromethyl)benzoic acid (95656-52-3) → 4-amino-3-chloro-5-trifluoromethyl-benzoyl chloride (63498-15-7)

Guidance literature:

With thionyl chloride; for 2h; Heating / reflux;

Reference yield:

4-amino-3-(trifluoromethyl)benzoic acid (400-76-0) → 4-amino-3-chloro-5-trifluoromethyl-benzoyl chloride (63498-15-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 56 percent / SO₂Cl₂ / CHCl₃ / 8 h / Heating

2: SOCl₂ / 2 h / Heating

With thionyl chloride; sulfuryl dichloride; In chloroform;

Reference yield:

4-iodo-2-(trifluoromethyl)aniline (97760-97-9) → 4-amino-3-chloro-5-trifluoromethyl-benzoyl chloride (63498-15-7)

Guidance literature:

Multi-step reaction with 5 steps

1: 89 percent / toluene / 5 h / Heating

2: 71 percent / hexamethylphosphoric acid triamide / 3 h / 150 °C

3: 78 percent / 50percent NaOH / H₂O; ethanol / 5 h / Heating

4: 56 percent / SO₂Cl₂ / CHCl₃ / 8 h / Heating

5: SOCl₂ / 2 h / Heating

With sodium hydroxide; thionyl chloride; sulfuryl dichloride; In N,N,N,N,N,N-hexamethylphosphoric triamide; ethanol; chloroform; water; toluene;

upstream raw materials:

4-amino-3-chloro-5-(trifluoromethyl)benzoic acid

4-amino-3-(trifluoromethyl)benzoic acid

4-iodo-2-(trifluoromethyl)aniline

N-(4-iodo-2-(trifluoromethyl)phenyl)acetamide

Downstream raw materials:

2-chloro-4-oxiran-2-yl-6-(trifluoromethyl)aniline

1-[4-Amino-3-chloro-5-(trifluoromethyl)phenyl]-2-bromoethanone

4-Amino-N-(n-butyl)-3-chloro-5-trifluoromethyl-benzoic acid amide

4-Amino-N-tert.butyl-3-chloro-5-trifluoromethyl-benzoic acid amide