4-(2-Nitrobutyl)morpholine

Base Information

• Chemical Name: 4-(2-Nitrobutyl)morpholine
• CAS No.: 2224-44-4
• Molecular Formula: C8H16 N2 O3
• Molecular Weight: 188.227
• Hs Code.: 2934999090
• European Community (EC) Number: 218-748-3
• UNII: 852181O40H
• DSSTox Substance ID: DTXSID5032527
• Nikkaji Number: J58.037F
• Wikidata: Q26840947
• Metabolomics Workbench ID: 58862
• Mol file: 2224-44-4.mol

Synonyms:4-(2-Nitrobutyl)morpholine;2224-44-4;Vancide 40;N-(2-Nitrobutyl)morpholine;Morpholine, 4-(2-nitrobutyl)-;Vancide F 5386;4-(2-nitrobutyl)-morpholine;Caswell No. 601A;EINECS 218-748-3;BRN 0149001;CHEBI:55482;UNII-852181O40H;852181O40H;2-nitrobutylmorpholine;Epitope ID:117422;SCHEMBL120166;DTXSID5032527;AKOS006278729;LS-93225;W-109763;Q26840947

Chemical Property of 4-(2-Nitrobutyl)morpholine

Chemical Property:

• Vapor Pressure: 0.00232mmHg at 25°C
• Refractive Index: 1.4500 (estimate)
• Boiling Point: 288.6°C at 760 mmHg
• Flash Point: 128.3°C
• PSA: 58.29000
• Density: 1.092g/cm³
• LogP: 0.83500
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 188.11609238
• Heavy Atom Count: 13
• Complexity: 163

Purity/Quality:

98% ^*data from raw suppliers

4-(2-NITROBUTYL)MORPHOLINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Morpholines
• Canonical SMILES: CCC(CN1CCOCC1)[N+](=O)[O-]
• Uses: 4-(2-Nitrobutyl)morpholine is a preservative for use in cooling fluids, crude oil, diesel fuel, heating oil etc.

Technology Process of 4-(2-Nitrobutyl)morpholine

There total 2 articles about 4-(2-Nitrobutyl)morpholine 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:

N-hydroxymethylmorpholine (4432-43-3) + 1-Nitropropane (108-03-2) → 4-(2-nitrobutyl)morpholine (2224-44-4)

Guidance literature:

DOI:10.1021/jo01189a001

Reference yield:

→ 4-(2-nitrobutyl)morpholine (2224-44-4)

Guidance literature:

Morpholin, C3H7NO2, H2C=O.;

upstream raw materials:

N-hydroxymethylmorpholine

1-Nitropropane