2-Bromo-2-nitroethanol

Base Information

• Chemical Name: 2-Bromo-2-nitroethanol
• CAS No.: 5437-60-5
• Molecular Formula: C2H4 Br N O3
• Molecular Weight: 169.963
• Hs Code.: 2905590090
• NSC Number: 16149
• UNII: FA22WV2B2Z
• DSSTox Substance ID: DTXSID10896850
• Nikkaji Number: J49.822J
• Wikidata: Q27277871
• Mol file: 5437-60-5.mol

Synonyms:2-bromo-2-nitroethanol;bromonitroethanol

Chemical Property of 2-Bromo-2-nitroethanol

Chemical Property:

• Vapor Pressure: 0.00532mmHg at 25°C
• Boiling Point: 243.8°Cat760mmHg
• PKA: 2.86±0.36(Predicted)
• Flash Point: 101.2°C
• PSA: 66.05000
• Density: 1.99g/cm³
• LogP: 0.49960
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 168.93746
• Heavy Atom Count: 7
• Complexity: 69.8

Purity/Quality:

99%, ^*data from raw suppliers

2-Bromo-2-nitroethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Bromo-2-nitroethanol

There total 8 articles about 2-Bromo-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: 99.0%

2-nitro-1-ethanol (625-48-9) → 2-bromo-2-nitro-1-ethanol (5437-60-5)

Guidance literature:

2-nitro-1-ethanol; With sodium hydroxide; In water; at -10 - 0 ℃; for 0.333333h;

With bromine; In water; Temperature;

Reference yield:

2-bromo-2-nitro-1,3-propanediol (52-51-7) → 2-bromo-2-nitro-1-ethanol (5437-60-5)

Guidance literature:

With potassium hypobromite; Zersetzen des Dinatriumsalzes mit Essigsaeure;

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

Reference yield:

2-nitro-ethanol; monosodium salt (119276-81-2) → 2-bromo-2-nitro-1-ethanol (5437-60-5)

Guidance literature:

With bromine;

upstream raw materials:

formaldehyd

bromonitromethane

2-nitro-1-ethanol

2-bromo-2-nitro-1,3-propanediol

Downstream raw materials:

2,2-dibromo-2-nitro-1-ethanol

2-nitro-1-ethanol

acetic acid-(2-bromo-2-nitro-ethyl ester)

1-bromo-2-(1-ethoxy-ethoxy)-1-nitro-ethane

Refernces

• 1、 Challis, Brian C.,Yousaf, Taher I.. "The Reaction of Geminal Bromonitroalkanes with Nucleophiles. Part 1. The Decomposition of 2-Bromo-2-nitropropane-1,3-diol (Bronopol) in Aqueous Base". . p. 283 - 286. Retrieved 2007/10/02.