3-chloro-5-nitro-1,2-benzisothiazole

Base Information

• Chemical Name: 3-chloro-5-nitro-1,2-benzisothiazole
• CAS No.: 30747-87-6
• Molecular Formula: C₇H₃ClN₂O₂S
• Molecular Weight: 214.632
• Hs Code.: 2934999090
• Mol file: 30747-87-6.mol

Synonyms:3-Chloro-5-nitro-1,2-benzisothiazole;3-Chloro-5-nitrobenzisothiazole; 3-Chloro-5-nitrobenzo[d]isothiazole

Chemical Property of 3-chloro-5-nitro-1,2-benzisothiazole

Chemical Property:

• Vapor Pressure: 0.0112mmHg at 25°C
• Boiling Point: 270.7°Cat760mmHg
• PKA: -0.70±0.50(Predicted)
• Flash Point: 117.5°C
• PSA: 86.95000
• Density: 1.65g/cm³
• LogP: 3.38110

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-chloro-5-nitro-1,2-benzisothiazole

There total 7 articles about 3-chloro-5-nitro-1,2-benzisothiazole 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: 89.0%

3-amino-5-nitro-1,2-benzisothiazole (84387-89-3) → 3-chloro-5-nitro-1,2-benzisothiazole (30747-87-6)

Guidance literature:

With pyrylium tetrafluoroborate; magnesium chloride; In acetonitrile; for 16h; Heating; Sealed tube;

DOI:10.1038/s41557-021-00812-0

Reference yield: 81.8%

3-methoxy-5-nitro-1,2-benzisothiazole (64099-26-9) → 3-chloro-5-nitro-1,2-benzisothiazole (30747-87-6)

Guidance literature:

With tributyl-amine; trichlorophosphate; at 20 - 115 ℃;

DOI:10.3987/COM-09-11889

Reference yield: 73.6%

5-nitro-1,2-benzisothiazole (60768-66-3) → 3-chloro-5-nitro-1,2-benzisothiazole (30747-87-6)

Guidance literature:

With chlorine; In acetic acid;

upstream raw materials:

3-chloro-1,2-benzisothiazole

5-nitro-1,2-benzisothiazol-3(2H)-one

5-nitro-1,2-benzisothiazole

5-nitro-2,1-benzisothiazol-3(1H)-one

Downstream raw materials:

3-amino-5-nitro-1,2-benzisothiazole

5-amino-3-chloro-1,2-benzisothiazole

Refernces

• 1、 Tanikawa, Hiroharu,Ishii, Kazuhiro,Kubota, Shun,Sasanuma, Takashi,Yagai, Shiki,Kitamura, Akihide,Karatsu, Takashi. "Effect of nitro-substituton on the photochemistry of 3-piperidino-1,2-benzisothiazole derivatives: A mechanistic investigation". experimental part. p. 659 - 674. Retrieved 2010/09/07.
• 2、 -. "PROCESS FOR THE PREPARATION OF 6-(PERFLUOROALKYL)URACIL COMPOUNDS FROM CARBAMATE COMPOUNDS". Page 47. . Retrieved 2010/02/06.