3-Chloro-2,4,6-trifluorobenzoyl chloride

Base Information

Chemical Name:3-Chloro-2,4,6-trifluorobenzoyl chloride
CAS No.:174312-96-0
Molecular Formula:C₇HCl₂F₃O
Molecular Weight:228.986
Hs Code.:
DSSTox Substance ID:DTXSID301263723

Synonyms:3-chloro-2,4,6-trifluorobenzoyl chloride;174312-96-0;DTXSID301263723;MFCD31008993;Benzoyl chloride, 3-chloro-2,4,6-trifluoro-;3-Chloro-2,4,6-trifluorobenzoyl chloride, 95%

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 3-Chloro-2,4,6-trifluorobenzoyl chloride

Chemical Property:

XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:227.9356545
Heavy Atom Count:13
Complexity:214

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=C(C(=C(C(=C1F)Cl)F)C(=O)Cl)F

Technology Process of 3-Chloro-2,4,6-trifluorobenzoyl chloride

There total 2 articles about 3-Chloro-2,4,6-trifluorobenzoyl 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: 66.0%

: 174312-95-9
3-chloro-2,4,6-trifluorobenzoic acid

: 174312-96-0
3-chloro-2,4,6-trifluorobenzoyl chloride

Guidance literature:: With thionyl chloride; In N,N-dimethyl-formamide; at 90 - 140 ℃; for 5.5h;
DOI:10.1248/cpb.43.2123

Reference yield:

: 27074-08-4
5-chloro-2,4,6-trifluoroisophthalic acid

: 174312-96-0
3-chloro-2,4,6-trifluorobenzoyl chloride

Guidance literature:: Multi-step reaction with 2 steps

1: 74 percent / Et₃N / dimethylsulfoxide / 3 h / 100 °C

2: 66 percent / SOCl₂ / dimethylformamide / 5.5 h / 90 - 140 °C

With thionyl chloride; triethylamine; In dimethyl sulfoxide; N,N-dimethyl-formamide;
DOI:10.1248/cpb.43.2123

Reference yield:

: 174312-96-0
3-chloro-2,4,6-trifluorobenzoyl chloride

: 5-Benzylamino-1-cyclopropyl-7,8-difluoro-6-nitro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester

Guidance literature:: Multi-step reaction with 5 steps

1: 1.) NaOEt / 1.) toluene, RT, 1 h, 2.) toluene, 1h

2: p-TsOH*H₂O / H₂O / 3 h / Heating

3: 1.) Ac₂O / 1.) from 130 to 140 deg C, 2 h, 2.) EtOH, RT, overnight

4: 84 percent / trichloroethene / 5.5 h / Heating

5: 69 percent / conc. HNO₃ / acetic acid / 0.75 h

With nitric acid; sodium ethanolate; acetic anhydride; toluene-4-sulfonic acid; In Trichloroethylene; water; acetic acid;
DOI:10.1248/cpb.43.2123