4-Trifluoromethylthiobenzoyl chloride

Base Information

• Chemical Name: 4-Trifluoromethylthiobenzoyl chloride
• CAS No.: 3377-96-6
• Molecular Formula: C₈H₄ClF₃S
• Molecular Weight: 224.634
• DSSTox Substance ID: DTXSID201247025

Synonyms:4-trifluoromethylthiobenzoyl chloride;SCHEMBL204723;DTXSID201247025;3377-96-6;4-(trifluoromethyl)benzenecarbothioyl chloride

Chemical Property of 4-Trifluoromethylthiobenzoyl chloride

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 223.9674335
• Heavy Atom Count: 13
• Complexity: 194

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=S)Cl)C(F)(F)F

Technology Process of 4-Trifluoromethylthiobenzoyl chloride

There total 1 articles about 4-Trifluoromethylthiobenzoyl 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:

carbon disulfide (75-15-0,12122-00-8) + p-trifluoromethylphenyl bromide (402-43-7) → 4-trifluoromethylthiobenzoyl chloride (3377-96-6)

Guidance literature:

Multistep reaction; (i) nBuLi, (ii) /BRN= 1098293/, (iii) SOCl₂;

DOI:10.1021/jo01020a003

Reference yield: 84.8%

4-trifluoromethylthiobenzoyl chloride (3377-96-6) + naphthalene-1,8-diamine (479-27-6) → 2-(p-TRIFLUOROMETHYLTHIOPHENYL)-1H-PERIMIDINE HYDROCHLORIDE

Guidance literature:

Reference yield:

4-trifluoromethylthiobenzoyl chloride (3377-96-6) → C8H4F3S(1+) (75031-87-7)

Guidance literature:

With silver hexafluoroantimonate; In liquid sulphur dioxide; at -78 ℃;

upstream raw materials:

carbon disulfide

p-trifluoromethylphenyl bromide

Downstream raw materials:

C₈H₄F₃S⁽¹⁺⁾

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