5-Bromo-3-methyl-4-nitro-1,2-thiazole

Base Information

• Chemical Name: 5-Bromo-3-methyl-4-nitro-1,2-thiazole
• CAS No.: 35610-98-1
• Molecular Formula: C4H3BrN2O2S
• Molecular Weight: 223.05
• Hs Code.: 2934999090
• NSC Number: 119862
• DSSTox Substance ID: DTXSID80297971
• Wikidata: Q82039503
• Mol file: 35610-98-1.mol

Synonyms:5-bromo-3-methyl-4-nitro-1,2-thiazole;35610-98-1;5-bromo-3-methyl-4-nitro-isothiazole;5-Bromo-3-methyl-4-nitroisothiazole;NSC119862;SCHEMBL7776279;DTXSID80297971;LISJYXUDWOEKBJ-UHFFFAOYSA-N;MFCD22421787;AKOS023400782;AS-5727;NSC-119862;CS-0282972;EN300-112845

Chemical Property of 5-Bromo-3-methyl-4-nitro-1,2-thiazole

Chemical Property:

• Vapor Pressure: 4.45mmHg at 25°C
• Boiling Point: 152.5°C at 760 mmHg
• Flash Point: 46°C
• PSA: 86.95000
• Density: 1.915g/cm³
• LogP: 2.64540
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 221.90986
• Heavy Atom Count: 10
• Complexity: 151

Purity/Quality:

97% ^*data from raw suppliers

5-Bromo-3-methyl-4-nitro-isothiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NSC(=C1[N+](=O)[O-])Br

Technology Process of 5-Bromo-3-methyl-4-nitro-1,2-thiazole

There total 3 articles about 5-Bromo-3-methyl-4-nitro-1,2-thiazole 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:

5-bromo-3-methylisothiazole (20493-60-1) → 5-bromo-3-methyl-4-nitro-1,2-thiazole (35610-98-1)

Guidance literature:

With sulfuric acid; nitric acid;

DOI:10.1039/jr9590003061

Reference yield:

5-amino-3-methyl-4-nitroisothiazole (40184-32-5) → 5-bromo-3-methyl-4-nitro-1,2-thiazole (35610-98-1)

Guidance literature:

With phosphoric acid; nitric acid; sodium nitrite; weitere Reagenzien: CuCl, wss. HCl;

DOI:10.1039/jr9590003061

Reference yield:

→ 5-bromo-3-methyl-4-nitro-1,2-thiazole (35610-98-1)

Guidance literature:

upstream raw materials:

5-bromo-3-methylisothiazole

5-amino-3-methyl-4-nitroisothiazole

Downstream raw materials:

5-(2-bromo-phenylsulfanyl)-3-methyl-4-nitro-isothiazole

5-(2-bromo-4-chloro-phenylsulfanyl)-3-methyl-4-nitro-isothiazole

3-methyl-4-nitro-5-isothiazolecarbonitrile

3-methyl-4-nitro-5-(2-nitro-benzenesulfonyl)-isothiazole