1-Butyl-2-nitrobenzene

Base Information

Chemical Name:1-Butyl-2-nitrobenzene
CAS No.:7137-55-5
Molecular Formula:C10H13 N O2
Molecular Weight:179.219
Hs Code.:2904209090
European Community (EC) Number:230-435-3
UNII:WG7T74H5V4
DSSTox Substance ID:DTXSID30221569
Nikkaji Number:J227.387J
Wikidata:Q83099403
Mol file:7137-55-5.mol

Synonyms:1-Butyl-2-nitrobenzene;7137-55-5;Benzene, 1-butyl-2-nitro-;EINECS 230-435-3;o-nitrobutylbenzene;o-n-butylnitrobenzene;SCHEMBL6679612;WG7T74H5V4;DTXSID30221569;MFCD00130028;AS-57749;B3091;FT-0705389;D88981

Suppliers and Price of 1-Butyl-2-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

AHH
1-butyl-2-nitrobenzene 97%
5g
$ 145.00

AK Scientific
1-Butyl-2-nitrobenzene
25g
$ 735.00

Crysdot
1-Butyl-2-nitrobenzene 95+%
25g
$ 313.00

TCI Chemical
1-Butyl-2-nitrobenzene >96.0%(GC)
25g
$ 512.00

TCI Chemical
1-Butyl-2-nitrobenzene >96.0%(GC)
5g
$ 186.00

TRC
1-Butyl-2-nitrobenzene
50mg
$ 45.00

Total 10 raw suppliers

Chemical Property of 1-Butyl-2-nitrobenzene

Chemical Property:

Vapor Pressure:0.0246mmHg at 25°C
Refractive Index:1.5200-1.5240
Boiling Point:127 °C / 10mmHg
Flash Point:101.8°C
PSA：45.82000
Density:1.06
LogP:3.46060
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:3.8
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:

98%,99%, ^*data from raw suppliers

1-butyl-2-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-2-nitrobenzene

There total 15 articles about 1-Butyl-2-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: 83.0%

: 4426-47-5
butylboronic acid

: 577-19-5
2-nitrophenyl bromide

: 7137-55-5
1-butyl-2-nitrobenzene

Guidance literature:: With potassium carbonate; bis(η3-allyl-μ-chloropalladium(II)); (1RS,2RS,3SR,4SR)-1,2,3,4-tetrakis((diphenylphosphanyl)methyl)cyclopentane; In xylene; at 130 ℃; for 20h;
DOI:10.1016/j.tet.2004.03.009

Reference yield: 70.0%

: C₁₂H₉N₃O₆S₂

: 122-56-5
tributyl borane

: 7137-55-5
1-butyl-2-nitrobenzene

Guidance literature:: Pd(Cl₂)dppf; In tetrahydrofuran; at 20 ℃; for 30h;
DOI:10.1055/s-2008-1032027

Reference yield: 38.0%

: 693-03-8
n-butyl magnesium bromide

: 98-95-3,26969-40-4
nitrobenzene

: 20651-75-6
1-butyl-4-nitro-benzene

: 7137-55-5
1-butyl-2-nitrobenzene

Guidance literature:: n-butyl magnesium bromide; nitrobenzene; In tetrahydrofuran; at -70 ℃; for 0.0833333h;

With potassium permanganate; ammonia; In tetrahydrofuran; at -70 ℃; for 0.25h;
DOI:10.1016/S0022-328X(00)00931-1