4-Fluorothiobenzamide

Base Information

• Chemical Name: 4-Fluorothiobenzamide
• CAS No.: 22179-72-2
• Molecular Formula: C7H6 F N S
• Molecular Weight: 155.196
• Hs Code.: 29309099
• European Community (EC) Number: 244-820-9
• DSSTox Substance ID: DTXSID60176715
• Nikkaji Number: J285.453H
• Mol file: 22179-72-2.mol

Synonyms:4-Fluorothiobenzamide;22179-72-2;4-fluorobenzenecarbothioamide;4-fluorobenzothioamide;4-fluoro-1-benzenecarbothioamide;Benzenecarbothioamide, 4-fluoro-;MFCD01313285;4-FLUOROBENZENE-1-CARBOTHIOAMIDE;EINECS 244-820-9;4-fluoro-thiobenzamide;p-fluorothiobenzamide;4-fluoro(thiobenzamide);4-luorobenzenecarbothioamide;4-Fluorothiobenzamide, 97%;4-Fluorobenzenecarbothio-amide;SCHEMBL353975;F3284-7866;SCHEMBL8261014;C7-H6-F-N-S;DTXSID60176715;CHEBI:194797;AKOS000206453;AB08498;CS-10335;CS-0187014;FT-0720113;EN300-09199;W11783;2T-0908;J-014568

Chemical Property of 4-Fluorothiobenzamide

Chemical Property:

• Appearance/Colour: light yellow solid
• Vapor Pressure: 0.04mmHg at 25°C
• Melting Point: 150 °C
• Boiling Point: 239.5 °C at 760 mmHg
• Flash Point: 98.6 °C
• PSA: 58.11000
• Density: 1.29 g/cm₃
• LogP: 2.16020
• Storage Temp.: Refrigerator (+4°C)
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 155.02049853
• Heavy Atom Count: 10
• Complexity: 130

Purity/Quality:

99%min ^*data from raw suppliers

4-Fluorothiobenzamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,Xi
• Statements: 36/37/38-20/21/22-43-22
• Safety Statements: 36/37/39-26-22-36/37

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Fluorothiobenzamide

There total 13 articles about 4-Fluorothiobenzamide 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: 92.0%

4-fluorobenzonitrile (1194-02-1,143234-87-1) → 4-fluorothiobenzamide (22179-72-2)

Guidance literature:

With diammonium sulfide; 1,6-bis(3-methylimidazolium-1-yl)hexane dichloride; at 70 ℃; for 0.1h;

DOI:10.1007/BF03246065

Reference yield: 90.0%

4-fluorobenzaldoxime (459-23-4,7304-35-0) → 4-fluorothiobenzamide (22179-72-2)

Guidance literature:

With ammonium sulfide; trichlorotitanium(IV) trifluoromethanesulfonate; 1-n-butyl-3-methylimidazolim bromide; at 80 ℃; for 0.4h; chemoselective reaction; Ionic liquid;

DOI:10.1016/j.tetlet.2008.09.084

Reference yield: 71.0%

Lawessons reagent (19172-47-5,94367-93-8) + p-fluorobenzamide (824-75-9) → 4-fluorothiobenzamide (22179-72-2)

Guidance literature:

In water; benzene;

upstream raw materials:

p-fluorobenzamide

4-fluorobenzonitrile

Lawessons reagent

O,O-Diethyl hydrogen phosphorodithioate

Downstream raw materials:

2-(4-fluorophenyl)-4-hydroxy-5-phenylthiazole

N-[1-Dimethylamino-eth-(E)-ylidene]-4-fluoro-thiobenzamide

ethyl 2-(2-(4-fluorophenyl)thiazol-4-yl)acetate

(S)-4-[2-(4-Fluoro-phenyl)-thiazol-4-ylmethyl]-2,2-bis-trifluoromethyl-oxazolidin-5-one