2-Bromo-5-nitrothiazole

Base Information

• Chemical Name: 2-Bromo-5-nitrothiazole
• CAS No.: 3034-48-8
• Molecular Formula: C3HBrN2O2S
• Molecular Weight: 209.023
• Hs Code.: 29339900
• European Community (EC) Number: 221-226-8
• NSC Number: 91531
• DSSTox Substance ID: DTXSID4062804
• Nikkaji Number: J59.602G
• Wikidata: Q72448768
• Mol file: 3034-48-8.mol

Synonyms:2-bromo-5-nitrothiazole

Chemical Property of 2-Bromo-5-nitrothiazole

Chemical Property:

• Appearance/Colour: slightly brown powder.
• Vapor Pressure: 0.00377mmHg at 25°C
• Melting Point: 85-88 ºC (dec.)(lit.)
• Refractive Index: 1.659
• Boiling Point: 289.7 ºC at 760 mmHg
• PKA: -2.84±0.10(Predicted)
• Flash Point: 129 ºC
• PSA: 86.95000
• Density: 2.086 g/cm³
• LogP: 2.33700
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Water Solubility.: Slightly soluble in water.
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 207.89421
• Heavy Atom Count: 9
• Complexity: 128

Purity/Quality:

98%, ^*data from raw suppliers

2-Bromo-5-nitrothiazole ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(SC(=N1)Br)[N+](=O)[O-]
• Uses: 2-Bromo-5-nitrothiazole is used as a building block. It is used as an intermediate to produce other chemicals.

Technology Process of 2-Bromo-5-nitrothiazole

There total 5 articles about 2-Bromo-5-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: 77.0%

2-amino-5-nitro-1,3-thiazole (121-66-4,176384-36-4,8023-00-5) → 2-bromo-5-nitro-1,3-thiazole (3034-48-8)

Guidance literature:

With tert-Butyl thionitrate; copper(ll) bromide; In acetonitrile; at 25 ℃; for 4.5h;

Reference yield: 60.0%

2-amino-5-nitro-1,3-thiazole (121-66-4,176384-36-4,8023-00-5) + pentan-1-ol (71-41-0) → 2-bromo-5-nitro-1,3-thiazole (3034-48-8)

Guidance literature:

In water; hydrogen bromide; sodium nitrite;

Reference yield:

2-thiazolylamine (96-50-4) → 2-bromo-5-nitro-1,3-thiazole (3034-48-8)

Guidance literature:

Multistep reaction; (i) HNO₃, H₂SO₄, (ii) NaBr, aq. CuSO₄, (iii) NaNO₂;

upstream raw materials:

2-amino-5-nitro-1,3-thiazole

2-thiazolylamine

pentan-1-ol

Downstream raw materials:

5-nitrothiazole

5-nitro-3H-thiazol-2-one

niridazole

1-(5-nitro-thiazol-2-yl)-4-phenyl-piperazine