2-Bromo-3-nitrothiophene

Base Information

• Chemical Name: 2-Bromo-3-nitrothiophene
• CAS No.: 2161-96-8
• Molecular Formula: C4H2BrNO2S
• Molecular Weight: 208.035
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID80360912
• Nikkaji Number: J609.795B,J3.438.038D
• Wikidata: Q72448782
• Mol file: 2161-96-8.mol

Synonyms:2-bromo-3-nitrothiophene

Chemical Property of 2-Bromo-3-nitrothiophene

Chemical Property:

• Vapor Pressure: 0.0712mmHg at 25°C
• Melting Point: 81-83 °C
• Refractive Index: 1.647
• Boiling Point: 236.8°C at 760 mmHg
• Flash Point: 97°C
• PSA: 74.06000
• Density: 1.945g/cm³
• LogP: 2.94200
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 206.89896
• Heavy Atom Count: 9
• Complexity: 126

Purity/Quality:

97% ^*data from raw suppliers

2-Bromo-3-nitrothiophene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Bromo-3-nitrothiophene

There total 3 articles about 2-Bromo-3-nitrothiophene 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: 75.0%

5-bromo-4-nitrothiophene-2-sulfonyl chloride (64729-05-1) → 2-bromo-3-nitrothiophene (2161-96-8)

Guidance literature:

With sulfuric acid; water;

DOI:10.1002/poc.3743

Reference yield:

5-bromo-4-nitro-thiophene-2-carboxylic acid (89283-24-9) → 2-bromo-3-nitrothiophene (2161-96-8)

Guidance literature:

With acetic acid; mercury(II) oxide; Erhitzen des Reaktionsprodukts mit Natriumchlorid und wss. Salzsaeure;

Reference yield:

→ 2-bromo-3-nitrothiophene (2161-96-8)

Guidance literature:

2-Brom-3-nitrothiophensulfonsaeure-(5)-chlorid, 1)sd.W. 2)wss.H2SO4, Siedetemp., Durchleiten von ueberhitztem Wasserdampf;

upstream raw materials:

5-bromo-4-nitro-thiophene-2-carboxylic acid

5-bromo-4-nitrothiophene-2-sulfonyl chloride

Downstream raw materials:

3-nitrothiophene

N-(thiophen-3-yl)acetamide

2-(2'-formylphenoxy)-3-nitrothiophene

3-nitro-N-(p-tolyl)thiophen-2-amine