2-Fluorothiobenzamide

Base Information

• Chemical Name: 2-Fluorothiobenzamide
• CAS No.: 75907-82-3
• Molecular Formula: C7H6FNS
• Molecular Weight: 155.196
• Hs Code.: 29309099
• European Community (EC) Number: 674-691-8
• DSSTox Substance ID: DTXSID60370519
• Nikkaji Number: J2.059.133A
• Wikidata: Q72477150
• Mol file: 75907-82-3.mol

Synonyms:2-Fluorothiobenzamide;75907-82-3;2-fluorobenzothioamide;2-fluorobenzenecarbothioamide;2-Fluoro Thiobenzamide;2-fluorobenzene-1-carbothioamide;benzenecarbothioamide, 2-fluoro-;MFCD04973316;2-fluoro-thiobenzamide;SCHEMBL2031274;DTXSID60370519;STL301983;AKOS000181106;FS-1637;CS-10334;A9636;CS-0008661;FT-0682137;EN300-64927;J-509530;F3284-7867

Chemical Property of 2-Fluorothiobenzamide

Chemical Property:

• Appearance/Colour: Yellow crystalline powder
• Vapor Pressure: 0.0255mmHg at 25°C
• Melting Point: 80-84 °C
• Refractive Index: 1.623
• Boiling Point: 247.5 °C at 760 mmHg
• Flash Point: 103.5 °C
• PSA: 58.11000
• Density: 1.29 g/cm³
• LogP: 2.16020
• Storage Temp.: Refrigerator (+4°C)
• Sensitive.: Stench
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 155.02049853
• Heavy Atom Count: 10
• Complexity: 138

Purity/Quality:

97% ^*data from raw suppliers

2-Fluorothiobenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn; Xi
• Hazard Codes: Xn,Xi
• Statements: 36/37/38-22
• Safety Statements: 37/39-26-36/37/38

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Fluorothiobenzamide

There total 4 articles about 2-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: 99.0%

2-fluorobenzonitrile (394-47-8) → 2-fluorobenzothioamide (75907-82-3)

Guidance literature:

With diammonium sulfide; triethylamine; In 1,4-dioxane; water; at 55 ℃; for 6h;

Reference yield:

2-fluorobenzamide (445-28-3) → 2-fluorobenzothioamide (75907-82-3)

Guidance literature:

With Lawessons reagent; In benzene; for 0.25h; Reflux;

DOI:10.1002/cmdc.201100078

Reference yield:

o-fluoro-benzoic acid (445-29-4) → 2-fluorobenzothioamide (75907-82-3)

Guidance literature:

Multi-step reaction with 2 steps

1: pyruvoyl chloride / N,N-dimethyl-formamide; dichloromethane / 12 h / 20 °C / Cooling with ice

2: Lawessons reagent / tetrahydrofuran / 3 h / Reflux; Inert atmosphere

With Lawessons reagent; pyruvoyl chloride; In tetrahydrofuran; dichloromethane; N,N-dimethyl-formamide;

upstream raw materials:

2-fluorobenzonitrile

2-fluorobenzamide

o-fluoro-benzoic acid

Downstream raw materials:

2-fluoro-N'-hydroxybenzenecarboximidamide

2-(2-fluorophenyl)-4,5-dihydro-1H-imidazole

4-(2,5-dichlorothien-3-yl)-2-(2-fluorophenyl)-1,3-thiazole

3-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-1-methyl-1H-7-azaindole