2-Chloro-6-nitrobenzothiazole

Base Information

• Chemical Name: 2-Chloro-6-nitrobenzothiazole
• CAS No.: 2407-11-6
• Molecular Formula: C7H3ClN2O2S
• Molecular Weight: 214.632
• Hs Code.: 29342000
• European Community (EC) Number: 219-302-0
• NSC Number: 503418
• DSSTox Substance ID: DTXSID90178803
• Nikkaji Number: J216.047A
• Wikidata: Q72455775
• ChEMBL ID: CHEMBL1213036
• Mol file: 2407-11-6.mol

Synonyms:2-Chloro-6-nitrobenzothiazole;2407-11-6;2-chloro-6-nitrobenzo[d]thiazole;2-chloro-6-nitro-1,3-benzothiazole;2-Chloro-6-nitro-benzothiazole;benzothiazole, 2-chloro-6-nitro-;MFCD00022852;6-NITRO-2-CHLOROBENZOTHIAZOLE;NSC 503418;NSC503418;6-Nitro-2-Chlorbenzothiazol;2-chloro-6-nitrobenzthiazole;SCHEMBL146922;2-chloro-6-nitro-benzothiazol;CHEMBL1213036;DTXSID90178803;BCP27269;EINECS 219-302-0;BBL104301;STL558615;2-Chloro-6-nitrobenzothiazole, 97%;AKOS000546935;AB01338;BA-0932;CS-W008116;NSC-503418;AC-15098;SY059463;A4987;AM20030425;FT-0634252;EN300-194269;Z56756347;F2144-0002

Chemical Property of 2-Chloro-6-nitrobenzothiazole

Chemical Property:

• Appearance/Colour: Yellow solid
• Vapor Pressure: 0.000103mmHg at 25°C
• Melting Point: 192-195 °C
• Refractive Index: 1.731
• Boiling Point: 348.1 °C at 760 mmHg
• PKA: -2.40±0.10(Predicted)
• Flash Point: 164.3 °C
• PSA: 86.95000
• Density: 1.65 g/cm³
• LogP: 3.38110
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 213.9603762
• Heavy Atom Count: 13
• Complexity: 223

Purity/Quality:

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

2-Chloro-6-nitro-1,3-benzothiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)Cl

Technology Process of 2-Chloro-6-nitrobenzothiazole

There total 15 articles about 2-Chloro-6-nitrobenzothiazole 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: 100.0%

2-chlorobenzo[d][1,3]thiazole (615-20-3) → 2-chloro-6-nitrobenzothiazole (2407-11-6)

Guidance literature:

With sulfuric acid; nitric acid; at 0 - 25 ℃; for 3h;

DOI:10.1016/j.bmcl.2005.05.077

Reference yield: 95.0%

2-amino-6-nitrobenzothiazole (6285-57-0) → 2-chloro-6-nitrobenzothiazole (2407-11-6)

Guidance literature:

2-amino-6-nitrobenzothiazole; With phosphoric acid; sodium nitrite; In water; at 0 ℃; for 1.5h;

With copper(II) sulfate; sodium chloride; In water; at 0 ℃; for 0.5h;

Reference yield: 93.0%

2-hydrazino-6-nitro-1,3-benzothiazole (30710-21-5) → 2-chloro-6-nitrobenzothiazole (2407-11-6)

Guidance literature:

With thionyl chloride; at 50 ℃; for 2h;

DOI:10.1016/j.bmcl.2007.04.079

upstream raw materials:

2-chlorobenzo[d][1,3]thiazole

6-nitro-2(3H)-benzothiazolone

6-nitrobenzo[d]thiazole-2(3H)-thione

6-nitrobenzo[d]thiazole-2-carboxylic acid

Downstream raw materials:

N,N-dimethyl-6-nitrobenzo[d]thiazol-2-amine

2-fluoro-6-nitro-benzothiazole

6-nitro-2-benzothiazolyl 2,3,4,6-tetra-O-benzyl-α-D-glucopyranoside

6-nitro-2-benzothiazolyl 3,6-di-O-allyl-2,4-di-O-benzyl-α-D-mannopyranoside

Refernces

• 1、 ?wierczyńska, Ma?gorzata,Grzelakowska, Aleksandra,Modrzejewska, Julia,Podsiad?y, Rados?aw,S?owiński, Daniel,Siarkiewicz, Przemys?aw,Szala, Marcin,Zielonka, Jacek. "Characterization of the reactivity of luciferin boronate - A probe for inflammatory oxidants with improved stability". . . Retrieved 2020/08/12.
• 2、 -. "Small-compound enhancers for functional O-mannosylation of alpha-dystroglycan, and uses thereof". Page/Page column 23. . Retrieved 2019/03/14.