Cas no 100960-68-7 (4-Chloro-2-methoxybenzonitrile)

4-Chloro-2-methoxybenzonitrile is a versatile organic compound with the molecular formula C8H6ClNO. It features a chloro substituent at the 4-position and a methoxy group at the 2-position of the benzonitrile scaffold, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. Its electron-withdrawing nitrile group enhances reactivity in nucleophilic substitution and coupling reactions, while the methoxy group contributes to solubility and stability. This compound is particularly useful in the preparation of heterocyclic compounds and active pharmaceutical ingredients (APIs). Its well-defined structure and high purity make it suitable for precise synthetic applications, ensuring consistent performance in research and industrial processes.
4-Chloro-2-methoxybenzonitrile structure
100960-68-7 structure
Product Name:4-Chloro-2-methoxybenzonitrile
CAS No:100960-68-7
MF:C8H6ClNO
MW:167.592340946198
MDL:MFCD09865166
CID:1010940
PubChem ID:24212968
Update Time:2025-06-08

4-Chloro-2-methoxybenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 4-Chloro-2-methoxybenzonitrile
    • AS-33149
    • CS-0115635
    • Benzonitrile, 4-chloro-2-methoxy-
    • AM90004
    • AKOS005147202
    • DB-357993
    • EN300-182993
    • 100960-68-7
    • Z1079179256
    • SCHEMBL4857820
    • MFCD09865166
    • DTXSID70639967
    • RMEKKIFVJZOQEG-UHFFFAOYSA-N
    • MDL： MFCD09865166
    • Inchi： 1S/C8H6ClNO/c1-11-8-4-7(9)3-2-6(8)5-10/h2-4H,1H3
    • InChI Key： RMEKKIFVJZOQEG-UHFFFAOYSA-N
    • SMILES： ClC1C=CC(C#N)=C(C=1)OC

Computed Properties

  • Exact Mass: 167.01388
  • Monoisotopic Mass: 167.0137915g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 174
  • 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: 3.1
  • Topological Polar Surface Area: 33?2

Experimental Properties

  • PSA: 33.02

4-Chloro-2-methoxybenzonitrile Pricemore >>

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4-Chloro-2-methoxybenzonitrile Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:100960-68-7)4-Chloro-2-methoxybenzonitrile
Order Number:A848974
Stock Status:in Stock
Quantity:5g/10g/25g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 07:22
Price ($):249.0/386.0/810.0

4-Chloro-2-methoxybenzonitrile Related Literature

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Amadis Chemical Company Limited
(CAS:100960-68-7)4-Chloro-2-methoxybenzonitrile
A848974
Purity:99%/99%/99%
Quantity:5g/10g/25g
Price ($):249.0/386.0/810.0
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