Cas no 79780-61-3 (1,4-Benzenedicarbonitrile, 2,3-diamino-)

1,4-Benzenedicarbonitrile, 2,3-diamino- structure
79780-61-3 structure
Product Name:1,4-Benzenedicarbonitrile, 2,3-diamino-
CAS No:79780-61-3
MF:C8H6N4
MW:158.160040378571
MDL:MFCD18806056
CID:556264
PubChem ID:45122129
Update Time:2024-10-27

1,4-Benzenedicarbonitrile, 2,3-diamino- Chemical and Physical Properties

Names and Identifiers

    • 1,4-Benzenedicarbonitrile, 2,3-diamino-
    • E82253
    • CS-0181658
    • 1,4-Benzenedicarbonitrile, 2,3-diamino-
    • 2,3-diaminobenzene-1,4-dicarbonitrile
    • 79780-61-3
    • 2,3-Diaminoterephthalonitrile
    • 2,3-Diamino-1,4-benzenedicarbonitrile (ACI)
    • 1,2-Diamino-3,6-dicyanobenzene
    • MDL: MFCD18806056
    • Inchi: 1S/C8H6N4/c9-3-5-1-2-6(4-10)8(12)7(5)11/h1-2H,11-12H2
    • InChI Key: ZRMXARGXRHLBDO-UHFFFAOYSA-N
    • SMILES: N#CC1C(N)=C(N)C(C#N)=CC=1

Computed Properties

  • Exact Mass: 158.059
  • Monoisotopic Mass: 158.059
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 227
  • 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
  • Topological Polar Surface Area: 99.6A^2
  • XLogP3: 1.1

1,4-Benzenedicarbonitrile, 2,3-diamino- Pricemore >>

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1,4-Benzenedicarbonitrile, 2,3-diamino- Production Method

Production Method 1

Reaction Conditions
1.1 Catalysts: Cobalt dichloride hexahydrate Solvents: Ethanol ,  Tetrahydrofuran ;  15 min, rt
1.2 Reagents: Sodium borohydride ;  reflux; 1.5 h, reflux
Reference
Photodriven Multi-electron Storage in Disubstituted RuII Dppz Analogues
Aslan, Joseph M.; et al, Chemistry - A European Journal, 2015, 21(48), 17314-17323

Production Method 2

Reaction Conditions
1.1 Reagents: Bromine ,  Hydrogen bromide
2.1 Solvents: Dimethylformamide ;  3 h, reflux
3.1 Catalysts: Cobalt dichloride hexahydrate Solvents: Ethanol ,  Tetrahydrofuran ;  15 min, rt
3.2 Reagents: Sodium borohydride ;  reflux; 1.5 h, reflux
Reference
Photodriven Multi-electron Storage in Disubstituted RuII Dppz Analogues
Aslan, Joseph M.; et al, Chemistry - A European Journal, 2015, 21(48), 17314-17323

Production Method 3

Reaction Conditions
1.1 Reagents: Acetic acid ,  Iron ;  30 min, reflux; reflux → rt
1.2 Reagents: Sodium hydroxide Solvents: Water ;  basified, rt
Reference
Solution-Processable n-Type Semiconductors Based on Unsymmetrical Naphthalene Imides: Synthesis, Characterization, and Applications in Field-Effect Transistors
Shao, Jinjun; et al, Chemistry - An Asian Journal, 2014, 9(1), 253-260

Production Method 4

Reaction Conditions
1.1 Solvents: Dimethylformamide ;  3 h, reflux
2.1 Catalysts: Cobalt dichloride hexahydrate Solvents: Ethanol ,  Tetrahydrofuran ;  15 min, rt
2.2 Reagents: Sodium borohydride ;  reflux; 1.5 h, reflux
Reference
Photodriven Multi-electron Storage in Disubstituted RuII Dppz Analogues
Aslan, Joseph M.; et al, Chemistry - A European Journal, 2015, 21(48), 17314-17323

Production Method 5

Reaction Conditions
1.1 Reagents: Thionyl chloride Solvents: Dichloromethane
2.1 Reagents: Bromine ,  Hydrogen bromide
3.1 Solvents: Dimethylformamide ;  3 h, reflux
4.1 Catalysts: Cobalt dichloride hexahydrate Solvents: Ethanol ,  Tetrahydrofuran ;  15 min, rt
4.2 Reagents: Sodium borohydride ;  reflux; 1.5 h, reflux
Reference
Photodriven Multi-electron Storage in Disubstituted RuII Dppz Analogues
Aslan, Joseph M.; et al, Chemistry - A European Journal, 2015, 21(48), 17314-17323

1,4-Benzenedicarbonitrile, 2,3-diamino- Raw materials

1,4-Benzenedicarbonitrile, 2,3-diamino- Preparation Products

1,4-Benzenedicarbonitrile, 2,3-diamino- Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:79780-61-3)1,4-Benzenedicarbonitrile, 2,3-diamino-
Order Number:A1052721
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 17:36
Price ($):217.0
Recommended suppliers
Amadis Chemical Company Limited
(CAS:79780-61-3)1,4-Benzenedicarbonitrile, 2,3-diamino-
A1052721
Purity:99%
Quantity:1g
Price ($):217.0
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