2-Chlorothiobenzamide

Base Information

• Chemical Name: 2-Chlorothiobenzamide
• CAS No.: 15717-17-6
• Molecular Formula: C7H6ClNS
• Molecular Weight: 171.65
• Hs Code.: 2930909090
• European Community (EC) Number: 624-542-8
• DSSTox Substance ID: DTXSID50166221
• Nikkaji Number: J307.671G
• Mol file: 15717-17-6.mol

Synonyms:2-Chlorothiobenzamide;15717-17-6;2-Chlorobenzenecarbothioamide;2-chlorobenzothioamide;Benzenecarbothioamide, 2-chloro-;o-Chlorothiobenzamide;2-chlorobenzene-1-carbothioamide;MFCD00040955;2-chloro-thiobenzamide;Benzamide, o-chlorothio-;SCHEMBL1335840;DTXSID50166221;STK400089;AKOS002669704;AB01839;FT-0612026;EN300-1228517;A809815;J-009386;F1967-1439;trans-4(4-n-Propylcyclohexyl)-3,4-difluor-1,1-biphenyl(bch-3f.f)

Chemical Property of 2-Chlorothiobenzamide

Chemical Property:

• Appearance/Colour: yellow powder
• Vapor Pressure: 0.00287mmHg at 25°C
• Melting Point: 65-69 ºC
• Refractive Index: 1.661
• Boiling Point: 285 °C at 760 mmHg
• PKA: 12.20±0.29(Predicted)
• Flash Point: 126.2 °C
• PSA: 58.11000
• Density: 1.341 g/cm³
• LogP: 2.67450
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 170.9909481
• Heavy Atom Count: 10
• Complexity: 138

Purity/Quality:

97% ^*data from raw suppliers

2-Chlorobenzenecarbothioamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xn,Xi
• Statements: 36/37/38-20/22-43-36-22
• Safety Statements: 37/39-26-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2-Chlorothiobenzamide

There total 13 articles about 2-Chlorothiobenzamide 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: 96.0%

2-Chlorobenzonitrile (873-32-5) → 2-chlorothiobenzamide (15717-17-6)

Guidance literature:

With calcium hydride; tiolacetic acid; In neat (no solvent); at 0 - 80 ℃; for 3.25h; Inert atmosphere;

DOI:10.1016/j.ejmech.2015.04.027

Reference yield: 92.0%

2-chlorobenzamide (609-66-5) → 2-chlorothiobenzamide (15717-17-6)

Guidance literature:

With P₂S₅/alumina; In tetrahydrofuran; at 60 ℃; for 0.333333h; Microwave irradiation;

DOI:10.1002/chem.201301011

Reference yield: 90.5%

→ 2-chlorothiobenzamide (15717-17-6)

Guidance literature:

With sodium hydrogen sulfide; carbon dioxide; In N,N-dimethyl-formamide; at 25 ℃; under 7500.75 Torr; Autoclave;

upstream raw materials:

2-Chlorobenzonitrile

triethylamine

O,O-Diethyl hydrogen phosphorodithioate

2-chloro benzaldehyde oxime

Downstream raw materials:

2-[2-(2-chloro-phenyl)-thiazol-4-yl]-benzothiazole

5-Acetyl-3-benzyl-6-(2-chloro-phenyl)-1H-pyrimidine-2,4-dione

2-Chlorobenzonitrile

2-(2-chlorophenyl)-4-(4-fluorophenyl)-5-(4-methylthiophenyl)thiazole