2-Hydrazino-6-nitro-1,3-benzothiazole

Base Information

• Chemical Name: 2-Hydrazino-6-nitro-1,3-benzothiazole
• CAS No.: 30710-21-5
• Molecular Formula: C7H6 N4 O2 S
• Molecular Weight: 210.216
• Hs Code.: 2934200090
• European Community (EC) Number: 636-556-1
• NSC Number: 158091
• DSSTox Substance ID: DTXSID40398554
• Wikidata: Q82200606
• ChEMBL ID: CHEMBL1241373
• Mol file: 30710-21-5.mol

Synonyms:30710-21-5;2-Hydrazino-6-nitro-1,3-benzothiazole;2-Hydrazinyl-6-nitrobenzo[d]thiazole;(6-nitro-1,3-benzothiazol-2-yl)hydrazine;(6-Nitrobenzothiazol-2-yl)hydrazine;2-hydrazinyl-6-nitro-1,3-benzothiazole;NSC158091;SCHEMBL2116582;CHEMBL1241373;2-hydrazino-6-nitrobenzothiazole;6-nitro-2-hydrazinobenzothiazole;DTXSID40398554;2-hydrazino-6-nitro-benzothiazole;6-nitro 2-hydrazino benzothiazole;HCIQJRCGPLSQLH-UHFFFAOYSA-N;MFCD00022864;AKOS005071999;CA-0927;NSC-158091;CS-0450778;FT-0638935;F30828;J-509588

Chemical Property of 2-Hydrazino-6-nitro-1,3-benzothiazole

Chemical Property:

• Vapor Pressure: 1.94E-07mmHg at 25°C
• Melting Point: 273-274oC
• Boiling Point: 425.2°C at 760 mmHg
• PKA: -0.17±0.20(Predicted)
• Flash Point: 211°C
• PSA: 125.00000
• Density: 1.685g/cm³
• LogP: 2.78660
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 210.02114662
• Heavy Atom Count: 14
• Complexity: 234

Purity/Quality:

98%min ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2-Hydrazino-6-nitro-1,3-benzothiazole

There total 7 articles about 2-Hydrazino-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: 93.0%

→ 2-hydrazino-6-nitro-1,3-benzothiazole (30710-21-5)

Guidance literature:

With hydrazine hydrate; In dimethyl sulfoxide; Microwave irradiation;

Reference yield: 85.0%

2-amino-6-nitrobenzothiazole (6285-57-0) → 2-hydrazino-6-nitro-1,3-benzothiazole (30710-21-5)

Guidance literature:

With hydrazine hydrate; hydrazinium sulfate; In ethylene glycol; at 120 ℃; for 2h;

DOI:10.1016/j.bmcl.2007.04.079

Reference yield:

4-nitro-aniline (100-01-6,104810-17-5) → 2-hydrazino-6-nitro-1,3-benzothiazole (30710-21-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 32 percent / Br₂; AcOH / 1 h / cooling

2: 85 percent / NH₂NH₂*H₂O; NH₂NH₂*H₂SO₄ / ethane-1,2-diol / 2 h / 120 °C

With bromine; hydrazine hydrate; acetic acid; hydrazinium sulfate; In ethylene glycol;

DOI:10.1016/j.bmcl.2007.04.079

upstream raw materials:

2-chloro-6-nitrobenzothiazole

2-methoxy-6-nitrobenzo[d]thiazole

2-isopropoxy-6-nitrobenzo[d]thiazole

2-amino-6-nitrobenzothiazole

Downstream raw materials:

5-(2,4-dinitro-anilino)-penta-2,4-dienal (6-nitro-benzothiazol-2-yl)-hydrazone

2-(6-nitro-benzothiazol-2-yl)-5-p-tolyl-2H-pyrazol-3-ylamine

5-(4-chloro-phenyl)-2-(6-nitro-benzothiazol-2-yl)-2H-pyrazol-3-ylamine

<6-Nitro-benzthiazolon>--azin

Refernces

• 1、 Pisal, Pooja,Deodhar, Meenakshi,Kale, Amol,Nigade, Ganesh,Pawar, Smita. "Design, synthesis, docking studies and biological evaluation of 2-phenyl-3-(Substituted benzo[d] thiazol-2-ylamino)-quinazoline-4(3H)-one derivatives as antimicrobial agents". . p. 57 - 61. Retrieved 2018/10/31.
• 2、 Kharbanda, Chetna,Alam, Mohammad Sarwar,Hamid, Hinna,Javed, Kalim,Bano, Sameena,Ali, Yakub,Dhulap, Abhijeet,Alam, Perwez,Pasha, M. A. Qadar. "Novel Piperine Derivatives with Antidiabetic Effect as PPAR-γ Agonists". . p. 354 - 362. Retrieved 2016/10/19.