Cas no 79887-24-4 (2,5-Diiodobenzonitrile)

2,5-Diiodobenzonitrile structure
2,5-Diiodobenzonitrile structure
Product Name:2,5-Diiodobenzonitrile
CAS No:79887-24-4
MF:C7H3I2N
MW:354.914366006851
MDL:MFCD00463830
CID:1068502
PubChem ID:3831471
Update Time:2025-09-24

2,5-Diiodobenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 2,5-Diiodobenzonitrile
    • 2,5-diiodobenzenecarbonitrile
    • AC1MYGHY
    • CTK7C7351
    • MolPort-002-319-069
    • STK365887
    • SureCN1914246
    • 2,5-Diiodobenzonitrile (ACI)
    • MFCD00463830
    • s12403
    • AKOS005442648
    • SCHEMBL1914246
    • C7H3I2N
    • DTXSID50397038
    • 79887-24-4
    • AS-10746
    • CS-0098733
    • MDL： MFCD00463830
    • Inchi： 1S/C7H3I2N/c8-6-1-2-7(9)5(3-6)4-10/h1-3H
    • InChI Key： SXOHPRPFFZRIJO-UHFFFAOYSA-N
    • SMILES： N#CC1C(I)=CC=C(I)C=1

Computed Properties

  • Exact Mass: 354.83549g/mol
  • Monoisotopic Mass: 354.83549g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 160
  • 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
  • XLogP3: 2.9
  • Topological Polar Surface Area: 23.8?2

Experimental Properties

  • Density: 2.5±0.1 g/cm3
  • Boiling Point: 346.2±32.0 °C at 760 mmHg
  • Flash Point: 163.2±25.1 °C
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

2,5-Diiodobenzonitrile Security Information

2,5-Diiodobenzonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI XIAN DING Biotechnology Co., Ltd.
B-JC301-1g
2,5-Diiodobenzonitrile
 79887-24-4 98%
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250mg
 $ 130.00 2022-06-06
TRC
D048210-500mg
2,5-Diiodobenzonitrile
 79887-24-4
500mg
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abcr
AB285849-1 g
2,5-Diiodobenzonitrile; 98%
 79887-24-4
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abcr
AB285849-5 g
2,5-Diiodobenzonitrile; 98%
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SHANG HAI XIAN DING Biotechnology Co., Ltd.
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 786.0CNY 2021-07-17
Apollo Scientific
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 79887-24-4 >98%
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 ￡54.00 2023-09-02
Apollo Scientific
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 79887-24-4 >98%
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2,5-Diiodobenzonitrile Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Propylamine (divinylbenzene-Polystyrene copolymer-bound) ,  Potassium carbonate Solvents: Dimethylformamide ,  Tetrahydrofuran ;  5 min, 0 °C; 1 h, rt
1.2 Reagents: Methyl iodide ;  24 h, rt → 120 °C
Reference
Combinatorial synthesis of oligo(phenylene ethynylene)s
Hwang, Jiunn-Jye; et al, Tetrahedron, 2002, 58(52), 10387-10405

Production Method 2

Reaction Conditions
1.1 Reagents: Boron trifluoride etherate Solvents: Tetrahydrofuran ;  rt → -20 °C; 5 min, -20 °C
1.2 Reagents: tert-Butyl nitrite Solvents: Tetrahydrofuran ;  30 min, -20 °C; 10 min, -20 °C; 20 min, -20 °C → 5 °C
1.3 Solvents: Diethyl ether ;  15 min, 0 °C
2.1 Reagents: Propylamine (divinylbenzene-Polystyrene copolymer-bound) ,  Potassium carbonate Solvents: Dimethylformamide ,  Tetrahydrofuran ;  5 min, 0 °C; 1 h, rt
2.2 Reagents: Methyl iodide ;  24 h, rt → 120 °C
Reference
Combinatorial synthesis of oligo(phenylene ethynylene)s
Hwang, Jiunn-Jye; et al, Tetrahedron, 2002, 58(52), 10387-10405

2,5-Diiodobenzonitrile Raw materials

2,5-Diiodobenzonitrile Preparation Products

2,5-Diiodobenzonitrile Related Literature

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