1-Butyl-3-nitrobenzene

Base Information

Chemical Name:1-Butyl-3-nitrobenzene
CAS No.:20651-76-7
Molecular Formula:C10H13NO2
Molecular Weight:179.219
Hs Code.:2904209090
European Community (EC) Number:243-943-5
UNII:M9Q52R2W4L
DSSTox Substance ID:DTXSID60174695
Nikkaji Number:J280.635E
Wikidata:Q83044803
Mol file:20651-76-7.mol

Synonyms:1-Butyl-3-nitrobenzene;20651-76-7;3-Nitro-n-butylbenzene;EINECS 243-943-5;Benzene, 1-butyl-3-nitro-;M9Q52R2W4L;SCHEMBL9172285;DTXSID60174695;AKOS006345799

Suppliers and Price of 1-Butyl-3-nitrobenzene

Supply Marketing:

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

Crysdot
1-Butyl-3-nitrobenzene 97%
25g
$ 1006.00

Crysdot
1-Butyl-3-nitrobenzene 97%
10g
$ 455.00

AHH
3-NITRO-N-BUTYLBENZENE 97%
25g
$ 1020.00

Total 5 raw suppliers

Chemical Property of 1-Butyl-3-nitrobenzene

Chemical Property:

Vapor Pressure:0.0081mmHg at 25°C
Melting Point:1°C (estimate)
Refractive Index:1.5301 (estimate)
Boiling Point:276.4°C at 760 mmHg
Flash Point:117.1°C
PSA：45.82000
Density:1.072g/cm³
LogP:3.46060
XLogP3:3.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:179.094628657
Heavy Atom Count:13
Complexity:165

Purity/Quality:

99% ^*data from raw suppliers

1-Butyl-3-nitrobenzene 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCC1=CC(=CC=C1)[N+](=O)[O-]

Technology Process of 1-Butyl-3-nitrobenzene

There total 12 articles about 1-Butyl-3-nitrobenzene 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: 91.0%

: 585-79-5
m-nitrobromobenzene

: 69190-62-1
pinacol butylboronate

: 20651-76-7
1-butyl-3-nitro-benzene

Guidance literature:: With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; sodium t-butanolate; ruphos; In water; toluene; at 80 ℃; for 24h; Inert atmosphere;
DOI:10.1002/anie.201106299