4-Amino-2-bromobenzonitrile

Base Information

Chemical Name:4-Amino-2-bromobenzonitrile
CAS No.:53312-82-6
Molecular Formula:C7H5BrN2
Molecular Weight:197.034
Hs Code.:2926909090
European Community (EC) Number:812-085-9
DSSTox Substance ID:DTXSID80356451
Wikidata:Q72438430
Mol file:53312-82-6.mol

Synonyms:4-amino-2-bromobenzonitrile;53312-82-6;MFCD03695814;2-Bromo-4-aminobenzonitrile;SCHEMBL1361840;Benzonitrile, 4-amino-2-bromo-;DTXSID80356451;OSYGPHDNNWRFJO-UHFFFAOYSA-N;CL8200;AKOS015888251;AM61563;CS-W015684;AC-23634;DS-15664;SY014436;FT-0684421;EN300-110143;A870764

Suppliers and Price of 4-Amino-2-bromobenzonitrile

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
4-Amino-2-bromobenzonitrile
100mg
$ 75.00

Matrix Scientific
4-Amino-2-bromobenzonitrile 98%
5g
$ 19.00

Matrix Scientific
4-Amino-2-bromobenzonitrile 98%
25g
$ 29.00

Matrix Scientific
4-Amino-2-bromobenzonitrile 98%
100g
$ 256.00

Chemcia Scientific
4-amino-2-bromobenzonitrile 97%
250 G
$ 680.00

Biosynth Carbosynth
4-Amino-2-bromobenzonitrile
10 g
$ 54.00

Biosynth Carbosynth
4-Amino-2-bromobenzonitrile
50 g
$ 215.00

Biosynth Carbosynth
4-Amino-2-bromobenzonitrile
25 g
$ 120.00

Biosynth Carbosynth
4-Amino-2-bromobenzonitrile
100 g
$ 390.00

Biosynth Carbosynth
4-Amino-2-bromobenzonitrile
250 g
$ 875.00

Total 37 raw suppliers

Chemical Property of 4-Amino-2-bromobenzonitrile

Chemical Property:

Boiling Point:355.5±32.0 °C(Predicted)
PKA:0.65±0.10(Predicted)
PSA：49.81000
Density:1.68
LogP:2.48418
Storage Temp.:Keep in dark place,Sealed in dry,Room Temperature
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:195.96361
Heavy Atom Count:10
Complexity:160

Purity/Quality:

97% ^*data from raw suppliers

4-Amino-2-bromobenzonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Safety Statements: 24/25

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=C(C=C1N)Br)C#N

Technology Process of 4-Amino-2-bromobenzonitrile

There total 4 articles about 4-Amino-2-bromobenzonitrile 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: 94.0%

: 34662-35-6
2-bromo-4-nitrobenzonitrile

: 53312-82-6
4-amino-2-bromobenzonitrile

Guidance literature:: With iron; acetic acid; In ethyl acetate; at 80 ℃; for 3h; Inert atmosphere;
DOI:10.1002/ejoc.201101170

Reference yield: 49.0%

: 36282-26-5
2-bromo-4-fluorobenzonitrile

: 53312-82-6
4-amino-2-bromobenzonitrile

Guidance literature:: 2-bromo-4-fluorobenzonitrile; With 3,4,5-trimethoxybenzylamine; at 140 ℃; for 1h;

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 24h;

Reference yield:

: 13296-94-1
2-bromo-4-nitroaniline

: 53312-82-6
4-amino-2-bromobenzonitrile

Guidance literature:: Multi-step reaction with 2 steps

1.1: hydrogenchloride; sodium nitrite / water / 1 h / 0 °C / Inert atmosphere

1.2: 1 h / 50 °C / Inert atmosphere

2.1: iron; acetic acid / ethyl acetate / 3 h / 80 °C / Inert atmosphere

With hydrogenchloride; iron; acetic acid; sodium nitrite; In water; ethyl acetate;
DOI:10.1002/ejoc.201101170