Cas no 148703-14-4 (2,3-Dihydro-1,4-benzodioxine-5-carbonitrile)

2,3-Dihydro-1,4-benzodioxine-5-carbonitrile is a heterocyclic organic compound featuring a benzodioxine core with a nitrile functional group at the 5-position. This structure imparts versatility in synthetic applications, particularly as an intermediate in pharmaceuticals and agrochemicals. The electron-withdrawing nitrile group enhances reactivity, facilitating further functionalization via nucleophilic addition or cyclization reactions. Its rigid benzodioxine scaffold contributes to stability while allowing precise structural modifications. The compound is valued for its compatibility with diverse reaction conditions and its role in constructing complex molecular architectures. High purity grades are available to meet stringent research and industrial requirements, ensuring reproducibility in synthetic workflows.
2,3-Dihydro-1,4-benzodioxine-5-carbonitrile structure
148703-14-4 structure
Product Name:2,3-Dihydro-1,4-benzodioxine-5-carbonitrile
CAS No:148703-14-4
MF:C9H7NO2
MW:161.157382249832
MDL:MFCD01116986
CID:100424
PubChem ID:2795043
Update Time:2025-06-08

2,3-Dihydro-1,4-benzodioxine-5-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 2,3-Dihydrobenzo[b][1,4]dioxine-5-carbonitrile
    • 1,4-Benzodioxin-5-carbonitrile,2,3-dihydro-
    • 2,3-Dihydro-1,4-benzodioxine-5-carbonitrile
    • 2,3-dihydro-1,4-benzodioxine-5-carbonitile
    • 148703-14-4
    • Oprea1_775031
    • SY308615
    • CS-0204993
    • BS-21500
    • E84233
    • DTXSID50383532
    • FT-0691378
    • W-205681
    • SCHEMBL7128137
    • A884338
    • 1,4-Benzodioxin-5-carbonitrile, 2,3-dihydro-
    • MFCD01116986
    • AKOS012323310
    • DB-063773
    • MDL: MFCD01116986
    • Inchi: 1S/C9H7NO2/c10-6-7-2-1-3-8-9(7)12-5-4-11-8/h1-3H,4-5H2
    • InChI Key: WNNQCWLSQDNACP-UHFFFAOYSA-N
    • SMILES: O1C2C(C#N)=CC=CC=2OCC1

Computed Properties

  • Exact Mass: 161.04800
  • Monoisotopic Mass: 161.048
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 208
  • 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
  • Topological Polar Surface Area: 42.2A^2
  • XLogP3: 1.4

Experimental Properties

  • Density: 1.27
  • Boiling Point: 284.6°C at 760 mmHg
  • Flash Point: 122.6°C
  • Refractive Index: 1.58
  • PSA: 42.25000
  • LogP: 1.32948

2,3-Dihydro-1,4-benzodioxine-5-carbonitrile Security Information

  • Storage Condition:Sealed in dry,2-8°C

2,3-Dihydro-1,4-benzodioxine-5-carbonitrile Customs Data

  • HS CODE:2932999099
  • Customs Data:

    China Customs Code:

    2932999099

    Overview:

    2932999099. Other heterocyclic compounds containing only oxygen heteroatoms. 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

    Summary:

    2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2,3-Dihydro-1,4-benzodioxine-5-carbonitrile Pricemore >>

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