2-Bromo-5-methyl-3-nitrothiophene

Base Information

• Chemical Name: 2-Bromo-5-methyl-3-nitrothiophene
• CAS No.: 82834-45-5
• Molecular Formula: C₅H₄BrNO₂S
• Molecular Weight: 222.062
• Hs Code.: 2934999090
• European Community (EC) Number: 676-395-4
• DSSTox Substance ID: DTXSID80566215
• Wikidata: Q82451721
• Mol file: 82834-45-5.mol

Synonyms:82834-45-5;2-Bromo-5-methyl-3-nitro-thiophene;2-bromo-5-methyl-3-nitrothiophene;DTXSID80566215;MFCD10687144;AKOS022978100;AS-36548;CS-0172082;A915524

Chemical Property of 2-Bromo-5-methyl-3-nitrothiophene

Chemical Property:

• Vapor Pressure: 0.0203mmHg at 25°C
• Boiling Point: 260.1°C at 760 mmHg
• Flash Point: 111.1°C
• PSA: 74.06000
• Density: 1.802g/cm³
• LogP: 3.25040
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 220.91461
• Heavy Atom Count: 10
• Complexity: 149

Purity/Quality:

97% ^*data from raw suppliers

2-Bromo-5-methyl-3-nitro-thiophene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(S1)Br)[N+](=O)[O-]

Technology Process of 2-Bromo-5-methyl-3-nitrothiophene

There total 3 articles about 2-Bromo-5-methyl-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:

5-bromo-2-methyl-4-nitrothiophen-3-sulphonyl chloride (82834-49-9) → 2-bromo-5-methyl-3-nitrothiophene (82834-45-5)

Guidance literature:

With hydrogenchloride; mercury(II) diacetate; Multistep reaction; 1.) acetic acid, reflux, 2 h, 2.) water;

DOI:10.1039/P29820000625

Reference yield:

2-bromo-5-methyl thiophene (765-58-2) → 2-bromo-5-methyl-3-nitrothiophene (82834-45-5)

Guidance literature:

Multi-step reaction with 3 steps

1: chlorosulphonic acid, phosphorus pentachloride / 10 °C

2: nitric acid / 1 h / 40 °C

3: 1.) mercury(II) acetate, 2.) HCl / 1.) acetic acid, reflux, 2 h, 2.) water

With hydrogenchloride; chlorosulfonic acid; phosphorus pentachloride; mercury(II) diacetate; nitric acid;

DOI:10.1039/P29820000625

Reference yield:

5-bromo-2-methylthiophen-3-sulphonyl chloride (82834-48-8) → 2-bromo-5-methyl-3-nitrothiophene (82834-45-5)

Guidance literature:

Multi-step reaction with 2 steps

1: nitric acid / 1 h / 40 °C

2: 1.) mercury(II) acetate, 2.) HCl / 1.) acetic acid, reflux, 2 h, 2.) water

With hydrogenchloride; mercury(II) diacetate; nitric acid;

DOI:10.1039/P29820000625

upstream raw materials:

5-bromo-2-methyl-4-nitrothiophen-3-sulphonyl chloride

2-bromo-5-methyl thiophene

5-bromo-2-methylthiophen-3-sulphonyl chloride

Downstream raw materials:

5-Methyl-3-nitro-2-phenylsulfanyl-thiophene

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