2,2-Dibromo-2-nitroethanol

Base Information

• Chemical Name: 2,2-Dibromo-2-nitroethanol
• CAS No.: 69094-18-4
• Molecular Formula: C2H3Br2NO3
• Molecular Weight: 248.859
• Hs Code.: 2905590090
• European Community (EC) Number: 412-380-9
• UNII: WX6VDG7X4V
• DSSTox Substance ID: DTXSID0073613
• Nikkaji Number: J35.178D
• Wikidata: Q72464677
• Mol file: 69094-18-4.mol

Synonyms:2,2-Dibromo-2-nitroethanol;69094-18-4;Ethanol, 2,2-dibromo-2-nitro-;DBNE;2,2-dibromo-2-nitroethan-1-ol;WX6VDG7X4V;EC 412-380-9;C2H3Br2NO3;2,2-dibromo-2-nitro-ethanol;2,2-dibromo-2-nitro-1-ethanol;DIBNIROL;UNII-WX6VDG7X4V;SCHEMBL421475;2,2-dibromo-2-nitro ethanol;C2-H3-Br2-N-O3;DTXSID0073613;MFCD01752886;AKOS015904583;GS-3104;LS-66643;N-60;CS-0199772;FT-0641221;EN300-99029;J-506784

Chemical Property of 2,2-Dibromo-2-nitroethanol

Chemical Property:

• Appearance/Colour: Colorless transparent
• Vapor Pressure: 0.00524mmHg at 25°C
• Melting Point: 30 °C
• Refractive Index: 1.615
• Boiling Point: 244 °C at 760 mmHg
• PKA: 11.84±0.10(Predicted)
• Flash Point: 101.4 °C
• PSA: 66.05000
• Density: 2.533 g/cm³
• LogP: 1.22220
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: Benzene (Slightly), Chloroform (Slightly), DMSO
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 248.84592
• Heavy Atom Count: 8
• Complexity: 97.9

Purity/Quality:

≥76% ^*data from raw suppliers

2,2-Dibromo-2-nitroethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,N
• Hazard Codes: E;C;N,N,C,E
• Statements: 22-35-40-43-48-50/53-48/22-2
• Safety Statements: 1/2-23-26-35-36/37/39-45-60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C([N+](=O)[O-])(Br)Br)O
• Uses: 2,2-Dibromo-2-nitroethanol belongs to bromine compounds, is an efficient antiseptic fungicide, widely used in industrial circulating water, industrial cooling water, electricity, oil industry, algae sterilization agent. 2,2-Dibromo-2-nitroethanol is an effective antibacterial halonitroalkanol.

Technology Process of 2,2-Dibromo-2-nitroethanol

There total 2 articles about 2,2-Dibromo-2-nitroethanol 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-bromo-2-nitro-1,3-propanediol (52-51-7) → 2-bromo-2-nitro-1-ethanol (5437-60-5) + bromopicrin (464-10-8) + 2,2-dibromo-2-nitro-1-ethanol (69094-18-4)

Guidance literature:

und nachfolgendes Versetzen mit Brom;

DOI:10.1046/j.1365-2044.2000.01557-36x./

Reference yield:

diethyl ether (60-29-7,927820-24-4) + chloroform (67-66-3,8013-54-5) + 2-bromo-2-nitro-1-ethanol (5437-60-5) + bromine (7726-95-6) → 2,2-dibromo-2-nitro-1-ethanol (69094-18-4)

Guidance literature:

reagiert das Dinatriumsalz;

upstream raw materials:

diethyl ether

chloroform

2-bromo-2-nitro-1-ethanol

bromine