5-Chloro-2-methyl-6-nitro-1,3-benzothiazole

Base Information

• Chemical Name: 5-Chloro-2-methyl-6-nitro-1,3-benzothiazole
• CAS No.: 5264-77-7
• Molecular Formula: C8H5ClN2O2S
• Molecular Weight: 228.6555
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID10353958
• Wikidata: Q82131842
• ChEMBL ID: CHEMBL1570318
• Mol file: 5264-77-7.mol

Synonyms:5264-77-7;5-chloro-2-methyl-6-nitro-1,3-benzothiazole;5-Chloro-2-methyl-6-nitrobenzo[d]thiazole;5-chloro-2-methyl-6-nitrobenzothiazole;5-Chloro-2-methyl-6-nitro-benzothiazole;MLS000693129;SCHEMBL4253791;CHEMBL1570318;DTXSID10353958;HMS2598D19;MFCD00600626;AKOS000546937;2-methyl-5-chloro-6-nitrobenzothiazole;SMR000284756;CS-0216261;FT-0715332;EN300-37378;W17076;SR-01000389618;SR-01000389618-1;F0349-0016

Chemical Property of 5-Chloro-2-methyl-6-nitro-1,3-benzothiazole

Chemical Property:

• PSA: 86.95000
• LogP: 3.68950
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 227.9760263
• Heavy Atom Count: 14
• Complexity: 248

Purity/Quality:

99% ^*data from raw suppliers

5-Chloro-2-methyl-6-nitrobenzo[d]thiazole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC2=CC(=C(C=C2S1)[N+](=O)[O-])Cl

Technology Process of 5-Chloro-2-methyl-6-nitro-1,3-benzothiazole

There total 2 articles about 5-Chloro-2-methyl-6-nitro-1,3-benzothiazole 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:

2-methyl-5-chloro-benzothiazole (1006-99-1) → 5-chloro-2-methyl-4-nitro-benzothiazole (5568-53-6) + 5-chloro-2-methyl-6-nitro-benzothiazole (5264-77-7)

Guidance literature:

With sulfuric acid; nitric acid;

Reference yield:

2-methyl-5-chloro-benzothiazole (1006-99-1) → 5-chloro-2-methyl-6-nitro-benzothiazole (5264-77-7)

Guidance literature:

With sulfuric acid; nitric acid;

DOI:10.1007/BF00469923

Reference yield:

5-chloro-2-methyl-6-nitro-benzothiazole (5264-77-7) → 5-chloro-2-methyl-benzothiazol-6-ylamine (101253-50-3)

Guidance literature:

With iron; acetic acid;

upstream raw materials:

2-methyl-5-chloro-benzothiazole

Downstream raw materials:

5-chloro-2-methyl-benzothiazol-6-ylamine

2-Methyl-5,6-dichlor-benzothiazol