5-Chloro-2-(trifluoromethyl)benzoyl chloride

Base Information

• Chemical Name: 5-Chloro-2-(trifluoromethyl)benzoyl chloride
• CAS No.: 320-84-3
• Molecular Formula: C8H3Cl2F3O
• Molecular Weight: 243.012
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID60380774
• Wikidata: Q82171229
• Mol file: 320-84-3.mol

Synonyms:5-chloro-2-(trifluoromethyl)benzoyl chloride;320-84-3;5-chloro-2-trifluoromethylbenzoyl chloride;SCHEMBL927354;DTXSID60380774;MFCD01631354;AKOS015850390;PS-10733;5-chloro-2-trifluoromethyl-benzoyl chloride;E89579;5-Chloro-2-(trifluoromethyl)benzoyl chloride, AldrichCPR

Chemical Property of 5-Chloro-2-(trifluoromethyl)benzoyl chloride

Chemical Property:

• Boiling Point: 214-217 °C
• PSA: 17.07000
• Density: 1.506±0.06 g/cm3(Predicted)
• LogP: 3.73780
• 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:

98%min ^*data from raw suppliers

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

Safty Information:

• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)C(=O)Cl)C(F)(F)F

Technology Process of 5-Chloro-2-(trifluoromethyl)benzoyl chloride

There total 3 articles about 5-Chloro-2-(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:

5-chloro-2-(trifluoromethyl)benzoic acid (654-98-8) → 5-chloro-2-trifluoromethylbenzoic acid chloride (320-84-3)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; for 2.5h;

DOI:10.1021/jm0612968

Reference yield:

5-chloro-2-(trifluoromethyl)benzaldehyde (90381-07-0) → 5-chloro-2-trifluoromethylbenzoic acid chloride (320-84-3)

Guidance literature:

With chlorine;

Reference yield:

4-chloro-2-difluoromethyl-1-trifluoromethyl-benzene (320-85-4) → 5-chloro-2-trifluoromethylbenzoic acid chloride (320-84-3)

Guidance literature:

Multi-step reaction with 2 steps

2: chlorine

With chlorine;

upstream raw materials:

5-chloro-2-(trifluoromethyl)benzaldehyde

5-chloro-2-(trifluoromethyl)benzoic acid

4-chloro-2-difluoromethyl-1-trifluoromethyl-benzene

Downstream raw materials:

5-chloro-N-(3-methyl-1-(4-nitrophenyl)-1-oxobutan-2-yl)-2-(trifluoromethyl)benzamide

5-chloro-N-(1-(4-cyanophenyl)-3-methyl-1-oxobutan-2-yl)-2-(trifluoromethyl)benzamide