Cas no 958458-89-4 (1-Bromo-2-fluoro-3-iodobenzene)

1-Bromo-2-fluoro-3-iodobenzene structure
958458-89-4 structure
Product Name:1-Bromo-2-fluoro-3-iodobenzene
CAS No:958458-89-4
MF:C6H3BrFI
MW:300.894896745682
MDL:MFCD13194483
CID:1985971
PubChem ID:19050503
Update Time:2024-10-25

1-Bromo-2-fluoro-3-iodobenzene Chemical and Physical Properties

Names and Identifiers

    • 1-bromo-2-fluoro-3-iodobenzene
    • 3-BROMO-2-FLUOROIODOBENZENE
    • NE55243
    • AK411676
    • Z1741973724
    • 1-Bromo-2-fluoro-3-iodobenzene (ACI)
    • 2-Fluoro-3-iodo-1-bromobenzene
    • 3-Iodo-2-fluoro-1-bromobenzene
    • EN300-137236
    • Z1269161863
    • SY118598
    • AKOS027386430
    • 958458-89-4
    • DS-18698
    • MFCD13194483
    • DB-201651
    • DTXSID80597726
    • CS-0030439
    • SCHEMBL8846834
    • 1-Bromo-2-fluoro-3-iodobenzene
    • MDL: MFCD13194483
    • Inchi: 1S/C6H3BrFI/c7-4-2-1-3-5(9)6(4)8/h1-3H
    • InChI Key: AEBOPKUWEXVTNN-UHFFFAOYSA-N
    • SMILES: FC1C(I)=CC=CC=1Br

Computed Properties

  • Exact Mass: 299.84469g/mol
  • Monoisotopic Mass: 299.84469g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 99.1
  • 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: 0
  • XLogP3: 3.4

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1-Bromo-2-fluoro-3-iodobenzene Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium nitrite ,  Hydrochloric acid Solvents: Acetonitrile ,  Water ;  30 min, 0 °C; 30 min, 0 °C
1.2 Reagents: Potassium iodide Solvents: Water ;  20 min, 0 °C; 0 °C → rt; 16 h, rt
1.3 Reagents: Sodium sulfite Solvents: Dichloromethane ;  10 min, rt
Reference
Synthesis of chryseno[1,2-b]heteroarenes and phenanthro[1,2-b:8,7-b']diheteroarenes by an SNAr-anionic cyclization cascade reaction strategy
Gilmore, James; Hwang, Daeseong; Crissy, Jack M. ; Mercado-Rodriguez, James M.; Katz, Jeffrey L., Tetrahedron Letters, 2020, 61(52),

Production Method 2

Reaction Conditions
1.1 Reagents: Butyllithium ,  2,2,6,6-Tetramethylpiperidine Solvents: Tetrahydrofuran ;  30 min, -78 °C
1.2 Solvents: Tetrahydrofuran ;  30 min, -78 °C
1.3 Reagents: Iodine
Reference
Fluorine-programmed nanozipping to tailored nanographenes on rutile TiO2 surfaces
Kolmer, M. ; Zuzak, R. ; Steiner, A. K. ; Zajac, L. ; Engelund, M. ; et al, Science (Washington, 2019, 363(6422), 57-60

Production Method 3

Reaction Conditions
1.1 Reagents: Sodium nitrite ,  Sodium tetrafluoroborate Solvents: Water
1.2 Reagents: Sulfuric acid ;  150 - 170 °C
Reference
Synthesis and biological activity studies of di- and mono-halo fluoro benzenes
Logoglu, Elif; Katircioglu, Hikmet; Tilki, Tahir; Oktemer, Atilla, Asian Journal of Chemistry, 2007, 19(3), 2029-2035

1-Bromo-2-fluoro-3-iodobenzene Raw materials

1-Bromo-2-fluoro-3-iodobenzene Preparation Products

1-Bromo-2-fluoro-3-iodobenzene Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:958458-89-4)1-Bromo-2-fluoro-3-iodobenzene
Order Number:A905484
Stock Status:in Stock
Quantity:100g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 12:20
Price ($):377.0

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Amadis Chemical Company Limited
(CAS:958458-89-4)1-Bromo-2-fluoro-3-iodobenzene
A905484
Purity:99%
Quantity:100g
Price ($):377.0
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