2-Chloro-2-nitroethanol

Base Information

• Chemical Name: 2-Chloro-2-nitroethanol
• CAS No.: 62635-34-1
• Molecular Formula: C2H4ClNO3
• Molecular Weight: 125.512
• DSSTox Substance ID: DTXSID40978193
• Nikkaji Number: J92.949B
• Mol file: 62635-34-1.mol

Synonyms:2-Chloro-2-nitroethanol;62635-34-1;Ethanol, 2-chloro-2-nitro-;BRN 1753998;3-01-00-01365 (Beilstein Handbook Reference);C2H4ClNO3;2-Chlor-2-nitro-athanol;2-Chloro-2-nitroethan-1-ol;C2-H4-Cl-N-O3;SCHEMBL9070316;DTXSID40978193;LS-66593

Chemical Property of 2-Chloro-2-nitroethanol

Chemical Property:

• Vapor Pressure: 0.0176mmHg at 25°C
• Boiling Point: 225.1°Cat760mmHg
• Flash Point: 89.9°C
• PSA: 66.05000
• Density: 1.501g/cm³
• LogP: 0.34350
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 124.9879707
• Heavy Atom Count: 7
• Complexity: 69.8

Purity/Quality:

2-CHLORO-2-NITROETHANOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-Chloro-2-nitroethanol

There total 7 articles about 2-Chloro-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:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + monochloronitromethane (1794-84-9) → 2-chloro-2-nitro-ethanol (62635-34-1) + 2-chloro-2-nitro-1,3-propanediol (32349-14-7)

Guidance literature:

Reference yield:

2-chloro-2-nitro-1,3-propanediol (32349-14-7) → 2-chloro-2-nitro-ethanol (62635-34-1)

Guidance literature:

With potassium hydroxide; nitromethane; neutralisieren mit Eisessig;

Reference yield:

1,2-dichloro-1-nitro-ethane (10544-55-5) → 2-chloro-2-nitro-ethanol (62635-34-1)

Guidance literature:

With water;

DOI:10.1021/jo01078a008

upstream raw materials:

formaldehyd

monochloronitromethane

nitromethane

2-chloro-2-nitro-1,3-propanediol

Downstream raw materials:

2-nitro-1-ethanol

2-chloro-2-nitro-1,3-propanediol