5-Chlorothiazole

Base Information

• Chemical Name: 5-Chlorothiazole
• CAS No.: 4175-73-9
• Molecular Formula: C3H2ClNS
• Molecular Weight: 119.575
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID10569693
• Wikidata: Q72459735
• Mol file: 4175-73-9.mol

Synonyms:5-CHLOROTHIAZOLE;4175-73-9;5-CHLORO-THIAZOLE;5-chloro-1,3-thiazole;5-thiazolyl chloride;SCHEMBL450299;DTXSID10569693;YBGBTGGBNZEUJS-UHFFFAOYSA-N;MFCD11053760;AKOS006307370;EN300-156194

Chemical Property of 5-Chlorothiazole

Chemical Property:

• Melting Point: 139-140℃
• Boiling Point: 168.211 °C at 760 mmHg
• PKA: 1.00±0.10(Predicted)
• Flash Point: 55.532 °C
• PSA: 41.13000
• Density: 1.421 g/cm³
• LogP: 1.79650
• Storage Temp.: 2-8°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 118.9596479
• Heavy Atom Count: 6
• Complexity: 50.1

Purity/Quality:

97% ^*data from raw suppliers

5-CHLOROTHIAZOLE 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(SC=N1)Cl

Technology Process of 5-Chlorothiazole

There total 1 articles about 5-Chlorothiazole 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:

thiazole 3-oxide (141305-44-4) → 2-chlorothiazole (3034-52-4) + 5-thiazolyl chloride (4175-73-9) + 4-chlorothiazole (4175-72-8)

Guidance literature:

With trichlorophosphate; In nitromethane; at 60 ℃; for 1h; Title compound not separated from byproducts;

Reference yield: 9.0%

4-amino-2-methylphenol (2835-96-3) + 5-thiazolyl chloride (4175-73-9) → 3-methyl-4-(1,3-thiazol-5-yloxy)aniline (871020-38-1)

Guidance literature:

With potassium hydroxide; In ISOPROPYLAMIDE; at 20 - 160 ℃; for 1h; Microwave irradiation;

upstream raw materials:

thiazole 3-oxide

Downstream raw materials:

3-methyl-4-(1,3-thiazol-5-yloxy)aniline