2-Chloro-5-fluorobenzothiazole

Base Information

• Chemical Name: 2-Chloro-5-fluorobenzothiazole
• CAS No.: 154327-27-2
• Molecular Formula: C7H3ClFNS
• Molecular Weight: 187.625
• Hs Code.: 29342000
• DSSTox Substance ID: DTXSID70459763
• Wikidata: Q82283607
• Mol file: 154327-27-2.mol

Synonyms:2-Chloro-5-fluorobenzothiazole;154327-27-2;2-Chloro-5-fluorobenzo[d]thiazole;2-chloro-5-fluoro-1,3-benzothiazole;MFCD09749234;2-chloro-5-fluoro-benzothiazole;SCHEMBL1747926;DTXSID70459763;IHMBREJYLPBYSM-UHFFFAOYSA-N;AKOS006327110;DS-2303;AC-27288;SY069175;2-chloranyl-5-fluoranyl-1,3-benzothiazole;FT-0688532;EN300-388219;A809524

Chemical Property of 2-Chloro-5-fluorobenzothiazole

Chemical Property:

• Boiling Point: 253.0±13.0 °C(Predicted)
• PKA: -0.36±0.10(Predicted)
• PSA: 41.13000
• Density: 1.532±0.06 g/cm3(Predicted)
• LogP: 3.08880
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 186.9658761
• Heavy Atom Count: 11
• Complexity: 157

Purity/Quality:

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

2-chloro-5-fluoro-1,3-benzothiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1F)N=C(S2)Cl

Technology Process of 2-Chloro-5-fluorobenzothiazole

There total 7 articles about 2-Chloro-5-fluorobenzothiazole 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: 75.0%

5-fluoro-2-mercaptobenzothiazole (155559-81-2) → 2-chloro-5-fluoro-1,3-benzothiazole (154327-27-2)

Guidance literature:

With sulfuryl dichloride; at 20 - 60 ℃; for 100h;

Reference yield: 51.0%

→ 2-chloro-5-fluoro-1,3-benzothiazole (154327-27-2)

Guidance literature:

With sulfuryl dichloride; In dichloromethane; at 22 ℃; for 1h; Cooling with ice;

Reference yield:

5-fluoro-1,3-benzothiazole-2(3H)-thione → 2-chloro-5-fluoro-1,3-benzothiazole (154327-27-2)

Guidance literature:

With sulfuryl dichloride; In dichloromethane; at 15 ℃; for 16h;

upstream raw materials:

5-fluoro-2-mercaptobenzothiazole

2-amino-5-fluorobenzothiazole

2,5-difluoroaniline

meta-fluoroaniline

Downstream raw materials:

[4-(6-fluoro-benzothiazol-2-yloxy)-phenyl]-methanol

Refernces

• 1、 -. "OCTAHYDROPYRROLO [3, 4-c] PYRROLE DERIVATIVES AND USES THEREOF". Paragraph 00233. . Retrieved 2017/07/04.
• 2、 Lv, Fengping,Li, Zhi-Fang,Hu, Wenhao,Wu, Xiaohua. "Small molecules enhance functional O-mannosylation of Alpha-dystroglycan". supporting information. p. 7661 - 7670. Retrieved 2015/12/18.