Cas no 531508-47-1 (2-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)ethan-1-amine)

2-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)ethan-1-amine structure
531508-47-1 structure
Product Name:2-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)ethan-1-amine
CAS No:531508-47-1
MF:C9H9F2NO2
MW:201.1700694561
MDL:MFCD08449118
CID:4023612
PubChem ID:11084868
Update Time:2025-04-22

2-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)ethan-1-amine Chemical and Physical Properties

Names and Identifiers

    • 1,3-Benzodioxole-4-ethanamine, 2,2-difluoro-
    • 2-(2,2-difluoro-1,3-benzodioxol-4-yl)ethanamine
    • 2-(2,2-difluoro-1,3-dioxaindan-4-yl)ethan-1-amine
    • 2-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)ethan-1-amine
    • QXSGQNYEVCQACY-UHFFFAOYSA-N
    • EN300-314256
    • 890-989-2
    • DTXSID001267819
    • 2-(2,2-Difluorobenzo[d][1,3]dioxol-4-yl)ethan-1-amine
    • GWA50847
    • AKOS022919294
    • 2,2-Difluoro-1,3-benzodioxole-4-ethanamine
    • DTXCID001698454
    • F1911-4943
    • 531508-47-1
    • E73064
    • MDL: MFCD08449118
    • Inchi: 1S/C9H9F2NO2/c10-9(11)13-7-3-1-2-6(4-5-12)8(7)14-9/h1-3H,4-5,12H2
    • InChI Key: QXSGQNYEVCQACY-UHFFFAOYSA-N
    • SMILES: O1C2=CC=CC(CCN)=C2OC1(F)F

Computed Properties

  • Exact Mass: 201.06013485Da
  • Monoisotopic Mass: 201.06013485Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 213
  • 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: 1.8
  • Topological Polar Surface Area: 44.5?2

Experimental Properties

  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 235.4±40.0 °C at 760 mmHg
  • Flash Point: 96.2±27.3 °C
  • Vapor Pressure: 0.1±0.5 mmHg at 25°C

2-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)ethan-1-amine Security Information

2-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)ethan-1-amine Pricemore >>

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TRC
D458288-10mg
2-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)ethan-1-amine
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$ 50.00 2022-06-05
TRC
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2-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)ethan-1-amine
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$ 295.00 2022-06-05
A2B Chem LLC
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A2B Chem LLC
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A2B Chem LLC
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