4-Fluoro-3-trifluoromethylphenylthiourea

Base Information

• Chemical Name: 4-Fluoro-3-trifluoromethylphenylthiourea
• CAS No.: 128143-17-9
• Molecular Formula: C8H6F4N2S
• Molecular Weight: 238.20500
• DSSTox Substance ID: DTXSID60603056
• Wikidata: Q82500292
• Mol file: 128143-17-9.mol

Synonyms:4-Fluoro-3-trifluoromethylphenylthiourea;128143-17-9;[4-fluoro-3-(trifluoromethyl)phenyl]thiourea;SCHEMBL2579126;DTXSID60603056;JPCYQRBIHAGREP-UHFFFAOYSA-N;AKOS010478981;CS-0257724;EN300-6762521;N-[4-Fluoro-3-(trifluoromethyl)phenyl]thiourea;4-FLUORO-3-(TRIFLUOROMETHYL)PHENYLTHIOUREA;A907895

Chemical Property of 4-Fluoro-3-trifluoromethylphenylthiourea

Chemical Property:

• PSA: 74.68000
• LogP: 3.29370
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 238.01878202
• Heavy Atom Count: 15
• Complexity: 243

Purity/Quality:

97% ^*data from raw suppliers

4-Fluoro-3-trifluoromethylphenylthiourea 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1NC(=S)N)C(F)(F)F)F

Technology Process of 4-Fluoro-3-trifluoromethylphenylthiourea

There total 1 articles about 4-Fluoro-3-trifluoromethylphenylthiourea 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:

ammonium thiocyanate (1147550-11-5) + 4-Fluoro-3-trifluoromethylaniline (2357-47-3) → [4-fluoro-3-(trifluoromethyl)phenyl]-thiourea (128143-17-9)

Guidance literature:

With benzoyl chloride; In acetone; for 0.5h; Heating;

DOI:10.1016/0223-5234(90)90169-4

Reference yield:

2-chloro-1-imidazo[1,2-a]pyridin-3-yl-ethanone monohydrochloride (499984-78-0) + [4-fluoro-3-(trifluoromethyl)phenyl]-thiourea (128143-17-9) → C17H10F4N4S*(x)ClH

Guidance literature:

In ethanol; at 20 ℃; Reflux;

Reference yield:

2-bromo-1-(5-fluoropyridin-3-yl)ethanone hydrobromide (1203709-19-6) + [4-fluoro-3-(trifluoromethyl)phenyl]-thiourea (128143-17-9) → C15H8F5N3S (929561-24-0)

Guidance literature:

In ethanol; at 20 ℃; Reflux;

upstream raw materials:

ammonium thiocyanate

4-Fluoro-3-trifluoromethylaniline

Downstream raw materials:

1-(4-Fluoro-3-trifluoromethyl-phenyl)-2-methyl-isothiourea; hydriodide

C₁₅H₈F₅N₃S

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