Cas no 1355247-94-7 (3-(4-chlorophenyl)pyridine-2-carbonitrile)

3-(4-Chlorophenyl)pyridine-2-carbonitrile is a versatile heterocyclic compound featuring a pyridine core substituted with a 4-chlorophenyl group and a nitrile functionality at the 2-position. This structure imparts significant utility in pharmaceutical and agrochemical research, particularly as a key intermediate in the synthesis of biologically active molecules. The presence of both electron-withdrawing (chlorophenyl and nitrile) groups enhances its reactivity in cross-coupling and cyclization reactions, making it valuable for constructing complex scaffolds. Its well-defined chemical properties and stability under standard conditions ensure consistent performance in synthetic applications. The compound is typically characterized by high purity, ensuring reproducibility in research and industrial processes.
3-(4-chlorophenyl)pyridine-2-carbonitrile structure
1355247-94-7 structure
Product Name:3-(4-chlorophenyl)pyridine-2-carbonitrile
CAS No:1355247-94-7
MF:C12H7ClN2
MW:214.650381326675
MDL:MFCD21333047
CID:2771444
PubChem ID:70699684
Update Time:2025-06-08

3-(4-chlorophenyl)pyridine-2-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-(4-chlorophenyl)pyridine-2-carbonitrile
    • BS-27060
    • CS-0211268
    • DTXSID80742799
    • 1355247-94-7
    • MFCD21333047
    • MDL: MFCD21333047
    • Inchi: 1S/C12H7ClN2/c13-10-5-3-9(4-6-10)11-2-1-7-15-12(11)8-14/h1-7H
    • InChI Key: GVWASMAZWFRZLO-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(=CC=1)C1C(C#N)=NC=CC=1

Computed Properties

  • Exact Mass: 214.03000
  • Monoisotopic Mass: 214.0297759Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 250
  • 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: 3.2
  • Topological Polar Surface Area: 36.7?2

Experimental Properties

  • PSA: 36.68000
  • LogP: 3.27368

3-(4-chlorophenyl)pyridine-2-carbonitrile Customs Data

  • HS CODE:2933399090
  • Customs Data:

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

3-(4-chlorophenyl)pyridine-2-carbonitrile Pricemore >>

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