4-Bromoisophthalonitrile

Base Information

Chemical Name:4-Bromoisophthalonitrile
CAS No.:22433-89-2
Molecular Formula:C8H3 Br N2
Molecular Weight:207.029
Hs Code.:2926909090
DSSTox Substance ID:DTXSID00176976
Nikkaji Number:J54.874J
Wikidata:Q83047301
ChEMBL ID:CHEMBL3248165
Mol file:22433-89-2.mol

Synonyms:4-Bromoisophthalonitrile;22433-89-2;4-bromobenzene-1,3-dicarbonitrile;4-Bromo-1,3-benzenedicarbonitrile;1,3-Benzenedicarbonitrile, 4-bromo-;BRN 2575701;C8H3BrN2;Isophothalonitrile, 4-bromo-;C8-H3-Br-N2;SCHEMBL3836763;CHEMBL3248165;DTXSID00176976;AMY19424;XAA43389;CL9300;GEO-04143;MFCD00234370;AKOS022190184;CS-W023081;DS-9305;LS-29673;FT-0774998;A878536

Suppliers and Price of 4-Bromoisophthalonitrile

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-Bromo-1,3-benzenediarbonitrile
10mg
$ 45.00

Crysdot
4-Bromoisophthalonitrile 98%
1g
$ 505.00

Chemenu
4-bromoisophthalonitrile 95+%
1g
$ 477.00

American Custom Chemicals Corporation
1,3-DICYANO-4-BROMO-BENZENE 95.00%
5MG
$ 500.68

Ambeed
4-Bromoisophthalonitrile 98%
1g
$ 130.00

Ambeed
4-Bromoisophthalonitrile 98%
250mg
$ 50.00

Ambeed
4-Bromoisophthalonitrile 98%
100mg
$ 28.00

Alichem
4-Bromoisophthalonitrile
1g
$ 525.30

Alichem
4-Bromoisophthalonitrile
250mg
$ 204.75

AK Scientific
4-Bromoisophthalonitrile
1g
$ 737.00

Total 15 raw suppliers

Chemical Property of 4-Bromoisophthalonitrile

Chemical Property:

Vapor Pressure:0.00119mmHg at 25°C
Boiling Point:299.5°Cat760mmHg
Flash Point:134.9°C
PSA：47.58000
Density:1.68g/cm³
LogP:2.19246
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:205.94796
Heavy Atom Count:11
Complexity:231

Purity/Quality:

97% ^*data from raw suppliers

4-Bromo-1,3-benzenediarbonitrile ^*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)C#N)Br
Uses 4-Bromo-1,3-benzenediarbonitrile is a useful reactant for the preparation of di(arylthienyl)thiazolothiazole.

Technology Process of 4-Bromoisophthalonitrile

There total 4 articles about 4-Bromoisophthalonitrile 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: 82.1%

: 820231-69-4
C₁₆H₂₃BrN₂O₂

: 22433-89-2
4-bromobenzene-1,3-dicarbonitrile

Guidance literature:: With thionyl chloride; for 4.5h; Heating / reflux;

Reference yield:

: 6939-93-1
4-bromo-isophthalic acid

: 22433-89-2
4-bromobenzene-1,3-dicarbonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: (i) SOCl₂, (ii) NH₃, benzene

2: POCl₃, NaCl

With sodium chloride; trichlorophosphate;
DOI:10.1021/jo00827a001

Reference yield:

: 583-70-0
1-bromo-2,4-dimethylbenzene

: 22433-89-2
4-bromobenzene-1,3-dicarbonitrile

Guidance literature:: Multi-step reaction with 3 steps

1.1: potassium permanganate; water / tert-butyl alcohol / 10 h / Reflux

2.1: thionyl chloride / N,N-dimethyl-formamide / 4 h / Reflux

2.2: 2 h

3.1: trifluoroacetic anhydride; pyridine / 1,4-dioxane / 2.5 h / 0 - 25 °C

With pyridine; potassium permanganate; thionyl chloride; water; trifluoroacetic anhydride; In 1,4-dioxane; N,N-dimethyl-formamide; tert-butyl alcohol;
DOI:10.1039/c5tc01293g