2,4-Dichlorothiobenzamide

Base Information

• Chemical Name: 2,4-Dichlorothiobenzamide
• CAS No.: 2775-38-4
• Molecular Formula: C7H5Cl2NS
• Molecular Weight: 206.095
• Hs Code.: 29309099
• European Community (EC) Number: 674-690-2
• DSSTox Substance ID: DTXSID10950441
• Nikkaji Number: J80.557B
• Wikidata: Q82928507
• Mol file: 2775-38-4.mol

Synonyms:2,4-Dichlorothiobenzamide;2775-38-4;2,4-Dichlorobenzothioamide;2,4-dichloro-thiobenzamide;2,4-dichlorobenzenecarbothioamide;Benzenecarbothioamide, 2,4-dichloro-;2,4-dichlorobenzene-1-carbothioamide;MFCD00173930;Maybridge1_008398;Benzamide, 2,4-dichlorothio-;SCHEMBL2026918;HMS565F16;DTXSID10950441;WDNBLWURITYPQL-UHFFFAOYSA-N;AKOS000126631;SB77619;2,4-bis(chloranyl)benzenecarbothioamide;2,4-dichloro-thiobenzamide, AldrichCPR;AS-31112;SY003194;2,4-Dichlorobenzene-1-carboximidothioic acid;CS-0205968;FT-0610040;EN300-56889;A819179

Chemical Property of 2,4-Dichlorothiobenzamide

Chemical Property:

• Appearance/Colour: Yellow powder
• Vapor Pressure: 0.00056mmHg at 25°C
• Melting Point: 135 °C
• Refractive Index: 1.669
• Boiling Point: 311.5 °C at 760 mmHg
• PKA: 11.80±0.29(Predicted)
• Flash Point: 142.2 °C
• PSA: 58.11000
• Density: 1.473 g/cm³
• LogP: 3.32790
• Storage Temp.: Refrigerator (+4°C)
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 204.9519757
• Heavy Atom Count: 11
• Complexity: 163

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,4-Dichlorothiobenzamide ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)C(=S)N

Technology Process of 2,4-Dichlorothiobenzamide

There total 10 articles about 2,4-Dichlorothiobenzamide 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: 95.0%

2,4-dichlorobenzylnitrile (6574-98-7) → 2,4-dichlorothiobenzamide (2775-38-4)

Guidance literature:

With diammonium sulfide; 1,6-bis(3-methylimidazolium-1-yl)hexane dichloride; at 70 ℃; for 0.0833333h;

DOI:10.1007/BF03246065

Reference yield: 82.0%

2,4-dichlorobenzaldoxime (56843-28-8) → 2,4-dichlorothiobenzamide (2775-38-4)

Guidance literature:

With ammonium sulfide; trichlorotitanium(IV) trifluoromethanesulfonate; 1-n-butyl-3-methylimidazolim bromide; at 80 ℃; for 3.2h; chemoselective reaction; Ionic liquid;

DOI:10.1016/j.tetlet.2008.09.084

Reference yield:

2,4-dichlorobenzamide (2447-79-2) → 2,4-dichlorothiobenzamide (2775-38-4)

Guidance literature:

With tetraphosphorus decasulfide; sodium hydrogencarbonate; In toluene; for 1h; Heating / reflux;

upstream raw materials:

2,4-dichlorobenzylnitrile

2,4-dichlorobenzamide

2,4-dichlorobenzaldoxime

2,4-dichlorobenzaldeyhde

Downstream raw materials:

[2-(2,4-dichloro-phenyl)-4-phenyl-thiazol-5-yl]-acetic acid

3,5-bis(2,4-dichlorophenyl)[1,2,4]thiadiazole^?

5-(2,4-dichloro-phenyl)-[1,2,4]dithiazole-3-thione

C₁₃H₉Cl₂NOS

Refernces

• 1、 Yadav, Arvind K.,Srivastava, Vishnu P.,Yadav, Lal Dhar S.. "Metal-free, one-pot oxidative conversion of aldehydes to primary thioamides in aqueous media". . p. 408 - 416. Retrieved 2014/01/06.
• 2、 Pandey, Lokesh Kumar,Pathak, Uma,Mathur, Sweta,Suryanarayana. "A thiophosphoryl chloride assisted transformation of arylaldoximes to thioamides". . p. 377 - 379. Retrieved 2012/03/27.