2,4-Dichloro-5-cyanothiazole

Base Information

• Chemical Name: 2,4-Dichloro-5-cyanothiazole
• CAS No.: 82554-18-5
• Molecular Formula: C₄Cl₂N₂S
• Molecular Weight: 179.029
• Hs Code.: 2934100090
• European Community (EC) Number: 813-373-7
• DSSTox Substance ID: DTXSID60574676
• Wikidata: Q82463811
• Mol file: 82554-18-5.mol

Synonyms:2,4-DICHLORO-5-CYANOTHIAZOLE;82554-18-5;2,4-dichlorothiazole-5-carbonitrile;2,4-Dichloro-1,3-thiazole-5-carbonitrile;dichloro-1,3-thiazole-5-carbonitrile;MFCD08669569;5-Thiazolecarbonitrile, 2,4-dichloro-;SCHEMBL3148442;DTXSID60574676;HXWDCGDBOAECIP-UHFFFAOYSA-N;AMY23056;2,4-dichloro-5-thiazolecarbonitrile;AKOS006289276;2 pound not4-Dichloro-5-cyanothiazole;AB45919;CS-W005208;DS-10483;SY019454;EN300-173466;J-507129

Chemical Property of 2,4-Dichloro-5-cyanothiazole

Chemical Property:

• Vapor Pressure: 9.38E-05mmHg at 25°C
• Refractive Index: 1.618
• Boiling Point: 339.1 °C at 760 mmHg
• Flash Point: 158.9 °C
• PSA: 64.92000
• Density: 1.7 g/cm³
• LogP: 2.32158
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 177.9159246
• Heavy Atom Count: 9
• Complexity: 154

Purity/Quality:

98%min ^*data from raw suppliers

2,4-Dichloro-5-cyanothiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(#N)C1=C(N=C(S1)Cl)Cl

Technology Process of 2,4-Dichloro-5-cyanothiazole

There total 1 articles about 2,4-Dichloro-5-cyanothiazole 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: 85.0%

2,4-dichloro-1,3-thiazole-5-carbaldehyde oxime → 2,4-dichloro-thiazole-5-carbonitrile (82554-18-5)

Guidance literature:

With acetic anhydride; Heating;

DOI:10.1016/j.bmcl.2003.09.082

Reference yield: 78.5%

2,4-dichloro-thiazole-5-carbonitrile (82554-18-5) → 2-amino-4-chlorothiazole-5-carbonitrile (136195-53-4)

Guidance literature:

With ammonia; In ethanol; 1.) 3 h, 2.) 50 deg C, 1 h;

DOI:10.1016/S0040-4020(01)90380-1

Reference yield: 69.0%

2,4-dichloro-thiazole-5-carbonitrile (82554-18-5) → 4-chlorothiazole-5-carbonitrile (145383-72-8)

Guidance literature:

With acetic acid; zinc; at 20 ℃; Inert atmosphere;

Downstream raw materials:

2-amino-4-chlorothiazole-5-carbonitrile

4-chlorothiazole-5-carbonitrile

Refernces