Cas no 914106-26-6 (4-Chloro-3-iodobenzonitrile)

4-Chloro-3-iodobenzonitrile structure
4-Chloro-3-iodobenzonitrile structure
Product Name:4-Chloro-3-iodobenzonitrile
CAS No:914106-26-6
MF:C7H3ClIN
MW:263.462892770767
MDL:MFCD09025674
CID:797068
PubChem ID:16659396
Update Time:2024-10-26

4-Chloro-3-iodobenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 4-Chloro-3-iodobenzonitrile
    • Benzonitrile, 4-chloro-3- iodo-
    • 4-chloro-3-iodo-benzonitrile
    • Benzonitrile,4-chloro-3-iodo
    • Benzonitrile, 4-chloro-3-iodo-
    • 5311AC
    • FCH1390167
    • 4-Chloro-3-iodobenzonitrile, AldrichCPR
    • OR460050
    • 4-chloranyl-3-iodanyl-benzenecarbonitrile
    • AK114421
    • AX8222149
    • AM20041399
    • A843858
    • 4-Chloro-3-iodobenzonitrile (ACI)
    • DS-6449
    • AKOS015850062
    • 914106-26-6
    • CS-0041322
    • SCHEMBL1799544
    • MFCD09025674
    • DTXSID80586559
    • MDL: MFCD09025674
    • Inchi: 1S/C7H3ClIN/c8-6-2-1-5(4-10)3-7(6)9/h1-3H
    • InChI Key: WUNSVSXKDMQXSB-UHFFFAOYSA-N
    • SMILES: N#CC1C=C(I)C(Cl)=CC=1

Computed Properties

  • Exact Mass: 262.90000
  • Monoisotopic Mass: 262.89987g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 162
  • 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: 3.3
  • Topological Polar Surface Area: 23.8

Experimental Properties

  • Color/Form: Pale-yellow to Yellow-brown Solid
  • PSA: 23.79000
  • LogP: 2.81628

4-Chloro-3-iodobenzonitrile Security Information

  • Signal Word:Warning
  • Hazard Statement: H302;H319
  • Warning Statement: P305+P351+P338
  • Hazard Category Code: 36
  • Safety Instruction: 26
  • HazardClass:IRRITANT
  • Storage Condition:Room temperature

4-Chloro-3-iodobenzonitrile Customs Data

  • HS CODE:2926909090
  • Customs Data:

    China Customs Code:

    2926909090

    Overview:

    2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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4-Chloro-3-iodobenzonitrile Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Acetic anhydride ;  4 h, reflux
Reference
Synthesis and in Vitro Antiprotozoal Activities of Dicationic 3,5-Diphenylisoxazoles
Patrick, Donald A.; Bakunov, Stanislav A.; Bakunova, Svetlana M.; Kumar, E. V. K. Suresh; Lombardy, Richard J.; et al, Journal of Medicinal Chemistry, 2007, 50(10), 2468-2485

4-Chloro-3-iodobenzonitrile Raw materials

4-Chloro-3-iodobenzonitrile Preparation Products

4-Chloro-3-iodobenzonitrile Related Literature

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