2-Nitrothiazole

Base Information

• Chemical Name: 2-Nitrothiazole
• CAS No.: 1606-76-4
• Molecular Formula: C3H2 N2 O2 S
• Molecular Weight: 130.127
• Hs Code.: 2934100090
• NSC Number: 355043
• DSSTox Substance ID: DTXSID3073268
• Nikkaji Number: J100.423I
• Wikidata: Q82001634
• Mol file: 1606-76-4.mol

Synonyms:2-NITROTHIAZOLE;1606-76-4;Thiazole, 2-nitro-;2-Nitro-1,3-thiazole;NSC355043;2-Nitro-1,3-thiazole #;SCHEMBL208274;DTXSID3073268;ALNUOSXDMYFQNQ-UHFFFAOYSA-;BAA60676;MFCD01760316;AKOS015917406;NSC 355043;NSC-355043;LS-151031;FT-0720798;F87152;EN300-1726355

Chemical Property of 2-Nitrothiazole

Chemical Property:

• Melting Point: 76 °C
• Boiling Point: 278.6±23.0 °C(Predicted)
• PKA: -1.83±0.10(Predicted)
• PSA: 86.95000
• Density: 1.549±0.06 g/cm3(Predicted)
• LogP: 1.57450
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 129.98369848
• Heavy Atom Count: 8
• Complexity: 102

Purity/Quality:

99% ^*data from raw suppliers

2-Nitrothiazole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSC(=N1)[N+](=O)[O-]

Technology Process of 2-Nitrothiazole

There total 4 articles about 2-Nitrothiazole 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:

thiazole-2-diazonium; tetrafluoroborate → 2-nitrothiazole (1606-76-4)

Guidance literature:

With copper; sodium nitrite; at 100 ℃; for 0.5h;

DOI:10.1055/s-2008-1032187

Reference yield:

→ 2-nitrothiazole (1606-76-4)

Guidance literature:

With hydrogenchloride; 6NO₂^(1-)*Co⁽²⁺⁾*3Na⁽¹⁺⁾; copper (I,II)-sulfite;

DOI:10.1002/hlca.19470300514

Reference yield:

5-bromo-2-nitrothiazole (182692-69-9) → 2-nitrothiazole (1606-76-4)

Guidance literature:

With pyridine;

DOI:10.1002/hlca.19500330214

upstream raw materials:

5-bromo-2-nitrothiazole

Downstream raw materials:

2-thiazolylamine

2-methoxythiazole

2-(piperidin-1-yl)thiazole

Refernces

• 1、 Katritzky, Alan R.,Vakulenko, Anatoliy V.,Sivapackiam, Jothilingam,Draghici, Bogdan,Damavarapu, Reddy. "Synthesis of dinitro-substituted furans, thiophenes, and azoles". . p. 699 - 706. Retrieved 2008/09/21.
• 2、 -. "Nitro-substituted non-fluorescent asymmetric cyanine dye compounds". . . Retrieved 2008/06/13.