Cas no 52107-68-3 (5-Iodo-2-methylbenzonitrile)

5-Iodo-2-methylbenzonitrile structure
5-Iodo-2-methylbenzonitrile structure
Product Name:5-Iodo-2-methylbenzonitrile
CAS No:52107-68-3
MF:C8H6IN
MW:243.044414043427
MDL:MFCD00128256
CID:366336
PubChem ID:676498
Update Time:2025-04-19

5-Iodo-2-methylbenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 5-Iodo-2-methylbenzonitrile
    • Benzonitrile, 5-iodo-2-methyl-
    • 5-iodo-2-methylbenzenecarbonitrile
    • FT-0704811
    • A871067
    • SCHEMBL3376010
    • 52107-68-3
    • C75444
    • MFCD00128256
    • AKOS005106134
    • CS-0098107
    • EN300-171682
    • DTXSID10350301
    • JS-1420
    • DB-296195
    • MDL： MFCD00128256
    • Inchi： 1S/C8H6IN/c1-6-2-3-8(9)4-7(6)5-10/h2-4H,1H3
    • InChI Key： QPGQEWLZKVSLPK-UHFFFAOYSA-N
    • SMILES： IC1C=CC(C)=C(C#N)C=1

Computed Properties

  • Exact Mass: 242.95408
  • Monoisotopic Mass: 242.95450g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 158
  • 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: 2.7
  • Topological Polar Surface Area: 23.8?2

Experimental Properties

  • Density: 1.78
  • Boiling Point: 275.8°C at 760 mmHg
  • Flash Point: 120.6°C
  • Refractive Index: 1.638
  • PSA: 23.79

5-Iodo-2-methylbenzonitrile Pricemore >>

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5-Iodo-2-methylbenzonitrile Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:52107-68-3)5-Iodo-2-methylbenzonitrile
Order Number:A871067
Stock Status:in Stock
Quantity:100g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 09:26
Price ($):276.0

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Amadis Chemical Company Limited
(CAS:52107-68-3)5-Iodo-2-methylbenzonitrile
A871067
Purity:99%
Quantity:100g
Price ($):276.0
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