3-Bromo-4-nitrobenzonitrile

Base Information

Chemical Name:3-Bromo-4-nitrobenzonitrile
CAS No.:102000-73-7
Molecular Formula:C7H3BrN2O2
Molecular Weight:227.017
Hs Code.:2926909090
DSSTox Substance ID:DTXSID70593535
Wikidata:Q82488033
Mol file:102000-73-7.mol

Synonyms:3-Bromo-4-nitrobenzonitrile;102000-73-7;3-BROMO-4-NITRO-BENZONITRILE;Benzonitrile, 3-bromo-4-nitro-;MFCD09701201;SCHEMBL1511983;DTXSID70593535;RNDBDEZITHKFEU-UHFFFAOYSA-N;CEA00073;SB30218;BS-53070;SY345937;DB-058748;CS-0160018;E74261

Suppliers and Price of 3-Bromo-4-nitrobenzonitrile

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

TRC
3-Bromo-4-nitro-benzonitrile
50mg
$ 90.00

Matrix Scientific
3-Bromo-4-nitrobenzonitrile 95%
5g
$ 1486.00

J&W Pharmlab
3-Bromo-4-nitro-benzonitrile 96%
100mg
$ 125.00

Crysdot
3-Bromo-4-nitrobenzonitrile 95+%
1g
$ 383.00

Chemcia Scientific
3-Bromo-4-nitro-benzonitrile 95%
1 G
$ 295.00

American Custom Chemicals Corporation
3-BROMO-4-NITRO-BENZONITRILE 96.00%
5G
$ 1068.38

Alichem
3-Bromo-4-nitrobenzonitrile
1g
$ 1504.90

Alichem
3-Bromo-4-nitrobenzonitrile
250mg
$ 499.20

Alichem
3-Bromo-4-nitrobenzonitrile
500mg
$ 815.00

A1 Biochem Labs
3-Bromo-4-nitrobenzonitrile 95%
5 g
$ 750.00

Total 7 raw suppliers

Chemical Property of 3-Bromo-4-nitrobenzonitrile

Chemical Property:

Melting Point:104-105 °C
Boiling Point:300.0±25.0 °C(Predicted)
PSA：69.61000
Density:1.81±0.1 g/cm3(Predicted)
LogP:2.75218
XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:225.93779
Heavy Atom Count:12
Complexity:229

Purity/Quality:

99% ^*data from raw suppliers

3-Bromo-4-nitro-benzonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=C(C=C1C#N)Br)[N+](=O)[O-]

Technology Process of 3-Bromo-4-nitrobenzonitrile

There total 6 articles about 3-Bromo-4-nitrobenzonitrile 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: 87.0%

: 1261794-86-8
3-bromo-4-nitrobenzamide

: 102000-73-7
3-bromo-4-nitrobenzonitrile

Guidance literature:: With triethylamine; trifluoroacetic anhydride; In tetrahydrofuran; at 0 ℃; for 1h;

Reference yield:

: 101420-81-9
3-Bromo-4-nitrobenzoic acid

: 102000-73-7
3-bromo-4-nitrobenzonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: ammonium hydroxide / methanol; water; acetonitrile / 2 h / 20 °C

2: triethylamine; trifluoroacetic anhydride / tetrahydrofuran / 1 h / 0 °C

With ammonium hydroxide; triethylamine; trifluoroacetic anhydride; In tetrahydrofuran; methanol; water; acetonitrile;