3-Chloro-5-(trifluoromethyl)benzoyl chloride

Base Information

• Chemical Name: 3-Chloro-5-(trifluoromethyl)benzoyl chloride
• CAS No.: 886496-83-9
• Molecular Formula: C8H3Cl2F3O
• Molecular Weight: 243.012
• Hs Code.: 2916399090
• Mol file: 886496-83-9.mol

Synonyms:3-CHLORO-5-(TRIFLUOROMETHYL)BENZOYL CHLORIDE

Chemical Property of 3-Chloro-5-(trifluoromethyl)benzoyl chloride

Chemical Property:

• Boiling Point: 220℃
• Flash Point: 87℃
• PSA: 17.07000
• Density: 1.506
• LogP: 3.73780

Purity/Quality:

97% ^*data from raw suppliers

3-Chloro-5-(trifluoromethyl)benzoyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-Chloro-5-(trifluoromethyl)benzoyl chloride

There total 4 articles about 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: 31.0%

3-chloro-5-(trifluoromethyl)benzoic acid (53985-49-2) → 3-chloro-5-trifluoromethylbenzoic acid chloride (886496-83-9)

Guidance literature:

With thionyl chloride; at 85 ℃; for 2h;

Reference yield:

3-amino-5-(trifluoromethyl)benzoic acid (328-68-7) → 3-chloro-5-trifluoromethylbenzoic acid chloride (886496-83-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: tert.-butylnitrite; copper(l) chloride / acetonitrile / 0.5 h / 45 - 50 °C

1.2: 0.17 h / 10 °C

2.1: thionyl chloride / N,N-dimethyl-formamide / toluene / 1 h / 85 °C

With thionyl chloride; tert.-butylnitrite; copper(l) chloride; N,N-dimethyl-formamide; In toluene; acetonitrile;

Reference yield:

3-nitro-5-trifluoromethyl-benzoic acid (328-80-3) → 3-chloro-5-trifluoromethylbenzoic acid chloride (886496-83-9)

Guidance literature:

Multi-step reaction with 3 steps

1.1: hydrogen / palladium 10% on activated carbon / ethanol / 7 h / 20 °C / 760.05 Torr

2.1: tert.-butylnitrite; copper(l) chloride / acetonitrile / 0.5 h / 45 - 50 °C

2.2: 0.17 h / 10 °C

3.1: thionyl chloride / N,N-dimethyl-formamide / toluene / 1 h / 85 °C

With thionyl chloride; tert.-butylnitrite; hydrogen; copper(l) chloride; palladium 10% on activated carbon; N,N-dimethyl-formamide; In ethanol; toluene; acetonitrile;

upstream raw materials:

3-chloro-5-(trifluoromethyl)benzoic acid

3-(trifluoromethyl)benzoic acid

3-nitro-5-trifluoromethyl-benzoic acid

3-amino-5-(trifluoromethyl)benzoic acid

Downstream raw materials:

methyl 3-chloro-5-(trifluoromethyl)benzoate

1-(3-chloro-5-(trifluoromethyl)phenyl)-2,2,2-trifluoroethan-1-one

Refernces

• 1、 -. "HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES". Page/Page column 85-86. . Retrieved 2019/11/12.
• 2、 -. "HYDRAZIDE COMPOUND AND ITS APPLICATION FOR CONTROLLING HARMFUL ARTHROPOD". Paragraph 0128. . Retrieved 2018/10/31.