Cas no 22891-52-7 (2,3-Dihydro-5H-1,4-benzodioxipin-5-one)

2,3-Dihydro-5H-1,4-benzodioxipin-5-one structure
22891-52-7 structure
Product Name:2,3-Dihydro-5H-1,4-benzodioxipin-5-one
CAS No:22891-52-7
MF:C9H8O3
MW:164.158022880554
MDL:MFCD00236035
CID:88391
PubChem ID:211314
Update Time:2025-04-18

2,3-Dihydro-5H-1,4-benzodioxipin-5-one Chemical and Physical Properties

Names and Identifiers

    • 2,3-Dihydro-5H-1,4-benzodioxipin-5-one
    • 2,3-dihydro-1,4-benzodioxepin-5-one
    • 2,3-DIBROMOOCTAFLUOROBUTANE
    • 2,3-Dihydro-5H-1,4-benzodioxepin-5-one
    • 5H-1,4-Benzodioxepin-5-one,2,3-dihydro
    • DTXSID30177431
    • AKOS005206959
    • 22891-52-7
    • 2H-benzo[e][1,4]dioxepin-5(3H)-one
    • AS-64778
    • 2, 3-dihydro-1, 4-benzodioxepin-5-one
    • 4-19-00-01699 (Beilstein Handbook Reference)
    • PYVNMBGWXYJCCL-UHFFFAOYSA-N
    • 3,5-dihydro-2H-1,4-benzodioxepin-5-one
    • FT-0609650
    • MFCD00236035
    • CS-0449951
    • 5H-1,4-Benzodioxepin-5-one, 2,3-dihydro-
    • BRN 0004464
    • SCHEMBL11343714
    • 2,3-Dihydro-5H-benzo[e][1,4]dioxepin-5-one
    • MDL: MFCD00236035
    • Inchi: 1S/C9H8O3/c10-9-7-3-1-2-4-8(7)11-5-6-12-9/h1-4H,5-6H2
    • InChI Key: PYVNMBGWXYJCCL-UHFFFAOYSA-N
    • SMILES: O1CCOC(C2C=CC=CC1=2)=O
    • BRN: 4464

Computed Properties

  • Exact Mass: 164.04700
  • Monoisotopic Mass: 164.047
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 179
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.5
  • Topological Polar Surface Area: 35.5A^2

Experimental Properties

  • Color/Form: Undetermined 2. density (g/ml, 25/4 ℃)
  • Density: 1.238
  • Melting Point: 29-31°C
  • Boiling Point: 178-184°C 15mm
  • Flash Point: 178-184°C/15mm
  • Refractive Index: 1.5580
  • PSA: 35.53000
  • LogP: 1.23580

2,3-Dihydro-5H-1,4-benzodioxipin-5-one Security Information

  • Safety Instruction: S24/25
  • RTECS:DF4725800
  • Safety Term:S24/25

2,3-Dihydro-5H-1,4-benzodioxipin-5-one 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-5H-1,4-benzodioxipin-5-one Pricemore >>

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abcr
AB179717-1 g
2,3-Dihydro-5H-1,4-benzodioxipin-5-one; 98%
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€119.60 2022-03-04
abcr
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