2-Chloro-3-(trifluoromethyl)benzoyl chloride

Base Information

• Chemical Name: 2-Chloro-3-(trifluoromethyl)benzoyl chloride
• CAS No.: 850156-39-7
• Molecular Formula: C8H3Cl2F3O
• Molecular Weight: 243.012
• Hs Code.: 2916399090
• European Community (EC) Number: 670-757-5
• DSSTox Substance ID: DTXSID20396972
• Wikidata: Q72460224
• Mol file: 850156-39-7.mol

Synonyms:2-Chloro-3-(trifluoromethyl)benzoyl chloride;850156-39-7;2-Chloro-3-(trifluoromethyl)benzoylchloride;2-Chloro-3-(chlorocarbonyl)benzotrifluoride;Benzoyl chloride, 2-chloro-3-(trifluoromethyl)-;2-chloro-3-trifluoromethylbenzoyl chloride;SCHEMBL108509;DTXSID20396972;MFCD04115830;AKOS015917423;PS-10732;FT-0644909;E89748;A841052

Chemical Property of 2-Chloro-3-(trifluoromethyl)benzoyl chloride

Chemical Property:

• Vapor Pressure: 0.117mmHg at 25°C
• Refractive Index: 1.486
• Boiling Point: 244 °C at 760 mmHg
• Flash Point: 101.4 °C
• PSA: 17.07000
• Density: 1.506 g/cm³
• LogP: 3.73780
• Storage Temp.: Keep Cold
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 241.9513046
• Heavy Atom Count: 14
• Complexity: 229

Purity/Quality:

99% ^*data from raw suppliers

2-Chloro-3-(trifluoromethyl)benzoylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Chloro-3-(trifluoromethyl)benzoyl chloride

There total 3 articles about 2-Chloro-3-(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:

C8H5ClF3NO2 → 2-chloro-3-(trifluoromethyl)benzoyl chloride (850156-39-7)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; In toluene; for 2h; Heating / reflux;

Reference yield:

2-chloro-3-trifluoromethylbenzoic acid (39226-97-6) → 2-chloro-3-(trifluoromethyl)benzoyl chloride (850156-39-7)

Guidance literature:

With thionyl chloride; In toluene; Heating;

DOI:10.1021/jm051202e

Reference yield:

→ 2-chloro-3-(trifluoromethyl)benzoyl chloride (850156-39-7)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 20 ℃; for 1.5h; Inert atmosphere;

upstream raw materials:

2-chloro-3-trifluoromethylbenzoic acid

Downstream raw materials:

C₂₁H₂₈ClF₃N₂O₃

Refernces

• 1、 Chrovian, Christa C.,Soyode-Johnson, Akinola,Peterson, Alexander A.,Gelin, Christine F.,Deng, Xiaohu,Dvorak, Curt A.,Carruthers, Nicholas I.,Lord, Brian,Fraser, Ian,Aluisio, Leah,Coe, Kevin J.,Scott, Brian,Koudriakova, Tatiana,Schoetens, Freddy,Sepassi, Kia,Gallacher, David J.,Bhattacharya, Anindya,Letavic, Michael A.. "A Dipolar Cycloaddition Reaction to Access 6-Methyl-4,5,6,7-tetrahydro-1H-[1,2,3]triazolo[4,5-c]pyridines Enables the Discovery Synthesis and Preclinical Profiling of a P2X7 Antagonist Clinical Candidate". supporting information. p. 207 - 223. Retrieved 2018/02/10.
• 2、 Rousseau, Jean-Francois,Chekroun, Isaac,Ferey, Vincent,Labrosse, Jean Robert. "Concise preparation of a stable cyclic sulfamidate intermediate in the synthesis of a enantiopure chiral active diamine derivative". . p. 506 - 513. Retrieved 2015/04/27.