4-Nitrobutan-2-one

Base Information Edit

Chemical Name:4-Nitrobutan-2-one
CAS No.:58935-95-8
Molecular Formula:C₄H₇NO₃
Molecular Weight:117.104
Hs Code.:
DSSTox Substance ID:DTXSID20455654
Nikkaji Number:J254.622A
Wikidata:Q82277752
Mol file:58935-95-8.mol

Synonyms:4-nitrobutan-2-one;58935-95-8;4-nitro-2-butanone;2-Butanone, 4-nitro- (6CI,9CI);4-nitro-butan-2-one;SCHEMBL2999774;BDBM82198;DTXSID20455654;EN300-102769;F2147-8657

Suppliers and Price of 4-Nitrobutan-2-one

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
4-nitrobutan-2-one
100mg
$ 285.00

AK Scientific
4-Nitrobutan-2-one
250mg
$ 437.00

Total 3 raw suppliers

Chemical Property of 4-Nitrobutan-2-one Edit

Chemical Property:

Boiling Point:86 °C(Press: 2 Torr)
PKA:7.62±0.29(Predicted)
PSA：62.89000
Density:1.120±0.06 g/cm3(Predicted)
LogP:0.76540
XLogP3:-0.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:117.042593085
Heavy Atom Count:8
Complexity:104

Purity/Quality:

99% ^*data from raw suppliers

4-nitrobutan-2-one ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)CC[N+](=O)[O-]

Technology Process of 4-Nitrobutan-2-one

There total 5 articles about 4-Nitrobutan-2-one 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: 82.0%