2-Bromo-2,2-dinitroethanol

Base Information

• Chemical Name: 2-Bromo-2,2-dinitroethanol
• CAS No.: 918-51-4
• Molecular Formula: C₂H₃BrN₂O₅
• Molecular Weight: 214.96
• DSSTox Substance ID: DTXSID70919514
• Nikkaji Number: J49.821A
• Wikidata: Q82892051
• Mol file: 918-51-4.mol

Synonyms:2-Bromo-2,2-dinitroethanol;918-51-4;BRN 1777631;Ethanol, 2-bromo-2,2-dinitro-;DTXSID70919514;2-Bromo-2,2-dinitroethan-1-ol

Chemical Property of 2-Bromo-2,2-dinitroethanol

Chemical Property:

• Vapor Pressure: 0.0127mmHg at 25°C
• Boiling Point: 230.3°Cat760mmHg
• Flash Point: 93.1°C
• PSA: 111.87000
• Density: 2.197g/cm³
• LogP: 0.62720
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 213.92253
• Heavy Atom Count: 10
• Complexity: 144

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Bromo-2,2-dinitroethanol

There total 2 articles about 2-Bromo-2,2-dinitroethanol 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:

2,2-dinitroethanol (29609-98-1) → 2-Brom-2,2-dinitro-aethanol (918-51-4)

Guidance literature:

With diethyl ether; bromine; beim Behandeln des Kaliumsalzes;

DOI:10.1021/jo01363a035

Reference yield:

2-acetoxy-1-bromo-1,1-dinitro-ethane (5917-59-9) → 2-Brom-2,2-dinitro-aethanol (918-51-4)

Guidance literature:

In methanol;

upstream raw materials:

2,2-dinitroethanol

2-acetoxy-1-bromo-1,1-dinitro-ethane