Cas no 885590-99-8 (2,3-Difluoro-4-iodobenzaldehyde)

2,3-Difluoro-4-iodobenzaldehyde structure
885590-99-8 structure
Product Name:2,3-Difluoro-4-iodobenzaldehyde
CAS No:885590-99-8
MF:C7H3F2IO
MW:267.999401330948
MDL:MFCD09835190
CID:820585
PubChem ID:24774052
Update Time:2024-12-09

2,3-Difluoro-4-iodobenzaldehyde Chemical and Physical Properties

Names and Identifiers

    • 2,3-Difluoro-4-iodobenzaldehyde
    • 2,3-Difluoro-4-iodobenzaldehyde (ACI)
    • 2,3-DIFLUORO-4-IODO-BENZALDEHYDE
    • SCHEMBL5094577
    • 885590-99-8
    • CS-0102256
    • EN300-2941941
    • DTXSID20647259
    • DS-14268
    • AKOS015889356
    • MFCD09835190
    • AB92760
    • DB-030767
    • MDL: MFCD09835190
    • Inchi: 1S/C7H3F2IO/c8-6-4(3-11)1-2-5(10)7(6)9/h1-3H
    • InChI Key: NQOUDZZHNAVUHU-UHFFFAOYSA-N
    • SMILES: O=CC1C(F)=C(F)C(I)=CC=1

Computed Properties

  • Exact Mass: 267.92
  • Monoisotopic Mass: 267.92
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 153
  • 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: 17.1A^2
  • XLogP3: 2.2

Experimental Properties

  • Density: 2.036±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 261.7±40.0 oC (760 Torr),
  • Flash Point: 112.1±27.3 oC,
  • Refractive Index: 1.614
  • Solubility: Almost insoluble (0.051 g/l) (25 o C),
  • PSA: 17.07000
  • LogP: 2.38190

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2,3-Difluoro-4-iodobenzaldehyde Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Piperidine, 2,2,6,6-tetramethyl-, lithium salt (1:1) Solvents: Tetrahydrofuran ;  < -65 °C; 15 min, -78 °C
1.2 Reagents: Iodine Solvents: Tetrahydrofuran ;  1 h, -78 °C; -78 °C → rt
1.3 Reagents: Water
1.4 Reagents: Hydrochloric acid Solvents: Tetrahydrofuran ,  Water ;  18 h, reflux; reflux → rt
Reference
7-Fluoroindazoles as Potent and Selective Inhibitors of Factor Xa
Lee, Yu-Kai; Parks, Daniel J.; Lu, Tianbao; Thieu, Tho V.; Markotan, Thomas; et al, Journal of Medicinal Chemistry, 2008, 51(2), 282-297

2,3-Difluoro-4-iodobenzaldehyde Raw materials

2,3-Difluoro-4-iodobenzaldehyde Preparation Products

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