Cas no 86938-64-9 (1,2-Benzenedicarbonitrile, 4,5-dibromo-)

1,2-Benzenedicarbonitrile, 4,5-dibromo- is a brominated aromatic dinitrile compound with notable applications in organic synthesis and material science. Its key advantages include high reactivity due to the presence of two electron-withdrawing cyano groups and bromine substituents, making it a versatile intermediate for cross-coupling reactions, such as Suzuki or Sonogashira couplings. The dibromo substitution pattern enhances its utility in constructing complex heterocyclic frameworks and functionalized polymers. Additionally, its rigid aromatic structure contributes to thermal stability, making it suitable for high-performance materials. The compound is particularly valuable in pharmaceutical and agrochemical research, where precise functionalization is required. Proper handling is advised due to its potential reactivity.
1,2-Benzenedicarbonitrile, 4,5-dibromo- structure
86938-64-9 structure
Product Name:1,2-Benzenedicarbonitrile, 4,5-dibromo-
CAS No:86938-64-9
MF:C8H2Br2N2
MW:285.922879695892
MDL:MFCD22042793
CID:1859366
PubChem ID:15325932
Update Time:2025-06-07

1,2-Benzenedicarbonitrile, 4,5-dibromo- Chemical and Physical Properties

Names and Identifiers

    • 1,2-Benzenedicarbonitrile, 4,5-dibromo-
    • 4,5-dibromobenzene-1,2-dicarbonitrile
    • 4,5-Dibromo-1,2-benzenedicarbonitrile (ACI)
    • 1,2-Dibromo-4,5-benzenedinitrile
    • 4,5-Dibromophthalonitrile
    • DTXSID30571531
    • AC7023
    • AKOS028113916
    • SY247549
    • 86938-64-9
    • MFCD22042793
    • AS-78567
    • SCHEMBL7046343
    • MDL： MFCD22042793
    • Inchi： 1S/C8H2Br2N2/c9-7-1-5(3-11)6(4-12)2-8(7)10/h1-2H
    • InChI Key： GWFFZICBNFSEIX-UHFFFAOYSA-N
    • SMILES： N#CC1C(C#N)=CC(Br)=C(Br)C=1

Computed Properties

  • Exact Mass: 285.85642 g/mol
  • Monoisotopic Mass: 283.85847 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 231
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Molecular Weight: 285.92
  • XLogP3: 2.7
  • Topological Polar Surface Area: 47.6?2

1,2-Benzenedicarbonitrile, 4,5-dibromo- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
Y17355-5g
4,5-Dibromophthalonitrile
 86938-64-9 98%
5g
 ￥15009.0 2024-07-18
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
Y17355-1g
4,5-Dibromophthalonitrile
 86938-64-9 98%
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SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
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 86938-64-9 98%
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eNovation Chemicals LLC
D779017-0.25g
4,5-Dibromophthalonitrile
 86938-64-9 98%
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eNovation Chemicals LLC
D779017-1g
4,5-Dibromophthalonitrile
 86938-64-9 98%
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eNovation Chemicals LLC
D779017-5g
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 86938-64-9 98%
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eNovation Chemicals LLC
Y1046441-5g
1,2-Benzenedicarbonitrile, 4,5-dibromo-
 86938-64-9 98%
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eNovation Chemicals LLC
D620035-100g
4,5-dibromophthalonitrile
 86938-64-9 96%
100g
 $3980 2025-08-06
eNovation Chemicals LLC
D620035-500g
4,5-dibromophthalonitrile
 86938-64-9 96%
500g
 $12500 2025-08-06
Alichem
A019149566-5g
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 86938-64-9 97%
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1,2-Benzenedicarbonitrile, 4,5-dibromo- Production Method

Production Method 1

Reaction Conditions
Reference
Click chemistry approach to graphitic structures
Hoogboom, Johan; Juricek, Michal; Lauko, Jan; Rehak, Juraj; Woltinge, Tim; et al, PMSE Preprints, 2007, 97, 110-111

Production Method 2

Reaction Conditions
1.1 Reagents: Thionyl chloride Solvents: Dimethylformamide ;  2 h, cooled; 5 h, cooled
Reference
A process for preparing 4,5-dihalo-1,2-benzenedicarbonitrile derivatives from 4,5-dihalophthalic anhydrides
, China, , ,

Production Method 3

Reaction Conditions
1.1 Catalysts: 1,1-Bis(diphenylphosphino)ferrocene ,  Tris(dibenzylideneacetone)dipalladium Solvents: Dimethylacetamide ;  24 h, 120 °C
Reference
Novel octabromo-substituted lanthanide(III) phthalocyanines - Prospective compounds for nonlinear optics
Kuzmina, Elena A.; Dubinina, Tatiana V. ; Vasilevsky, Pavel N. ; Saveliev, Mikhail S. ; Gerasimenko, Alexander Yu. ; et al, Dyes and Pigments, 2021, 185,

Production Method 4

Reaction Conditions
1.1 Reagents: Pyridine Catalysts: Tetrakis(triphenylphosphine)palladium Solvents: Dimethylformamide ;  48 h, 120 °C
1.2 Reagents: Ammonia Solvents: Water
Reference
A Novel Modular Approach to Triazole-Functionalized Phthalocyanines Using Click Chemistry
Juricek, Michal; Kouwer, Paul H. J.; Rehak, Juraj; Sly, Joseph; Rowan, Alan E., Journal of Organic Chemistry, 2009, 74(1), 21-25

1,2-Benzenedicarbonitrile, 4,5-dibromo- Raw materials

1,2-Benzenedicarbonitrile, 4,5-dibromo- Preparation Products

1,2-Benzenedicarbonitrile, 4,5-dibromo- Related Literature

86938-64-9 (1,2-Benzenedicarbonitrile, 4,5-dibromo-) Related Products

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