Cas no 883502-14-5 (1-fluoro-2-iodo-3-methylbenzene)

1-fluoro-2-iodo-3-methylbenzene structure
883502-14-5 structure
Product Name:1-fluoro-2-iodo-3-methylbenzene
CAS No:883502-14-5
MF:C7H6FI
MW:236.025417804718
MDL:MFCD04973438
CID:710399
PubChem ID:3836324
Update Time:2024-10-26

1-fluoro-2-iodo-3-methylbenzene Chemical and Physical Properties

Names and Identifiers

    • 1-Fluoro-2-iodo-3-methylbenzene
    • 3-Fluoro-2-iodotoluene
    • Benzene, 1- fluoro-2-iodo-3-methyl-
    • 2-Iodo-3-fluorotoluene
    • 1-fluoro-2-iodo-3-methyl-benzene
    • PubChem4552
    • WXHRYDHCFKJKKO-UHFFFAOYSA-N
    • Benzene,1-fluoro-2-iodo-3-methyl-
    • VZ26780
    • AS05019
    • LS10535
    • AS02032
    • AM62220
    • SY047848
    • AB0031427
    • ST2415337
    • X4518
    • A19669
    • 1-Fluoro-2-iodo-3-methylbenzene (ACI)
    • 3-Fluoro-2-iodo-3-methylbenzene
    • 883502-14-5
    • GS-3856
    • AKOS015890291
    • CS-W021322
    • EN300-206171
    • SCHEMBL5979692
    • DB-000366
    • DTXSID20397106
    • MFCD04973438
    • J-512457
    • 1-fluoro-2-iodo-3-methylbenzene
    • MDL: MFCD04973438
    • Inchi: 1S/C7H6FI/c1-5-3-2-4-6(8)7(5)9/h2-4H,1H3
    • InChI Key: WXHRYDHCFKJKKO-UHFFFAOYSA-N
    • SMILES: FC1C(I)=C(C)C=CC=1

Computed Properties

  • Exact Mass: 235.95
  • Monoisotopic Mass: 235.95
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 94.9
  • 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: 3
  • Topological Polar Surface Area: 0

Experimental Properties

  • Density: 1.788
  • Boiling Point: 212℃ at 760 mmHg
  • Flash Point: 85℃
  • Refractive Index: 1.58

1-fluoro-2-iodo-3-methylbenzene Security Information

1-fluoro-2-iodo-3-methylbenzene Pricemore >>

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1-fluoro-2-iodo-3-methylbenzene Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Hydrochloric acid Solvents: Water ;  15 min, 0 °C
1.2 Reagents: Sodium nitrite Solvents: Water ;  10 min, 0 °C; 1.5 h, 0 °C
1.3 Reagents: Potassium iodide Solvents: Water ;  10 min, 0 °C; 2 h, 0 °C
Reference
Evolution of N-heterocycle-substituted iodoarenes (NHIAs) to efficient organocatalysts in iodine(I/III)-mediated oxidative transformations
Boelke, Andreas; et al, ChemRxiv, 2019, 1, 1-16

Production Method 2

Reaction Conditions
1.1 Reagents: Hydrochloric acid Solvents: Water ;  15 min, 0 °C
1.2 Reagents: Sodium nitrite Solvents: Water ;  10 min, 0 °C; 1.5 h, 0 °C
1.3 Reagents: Potassium iodide Solvents: Water ;  10 min, 0 °C; 2 h, 0 °C; 0 °C → rt
1.4 Solvents: Water ;  rt
Reference
Evolution of N-Heterocycle-Substituted Iodoarenes (NHIAs) to Efficient Organocatalysts in Iodine(I/III)-Mediated Oxidative Transformations
Boelke, Andreas; et al, Advanced Synthesis & Catalysis, 2020, 362(1), 184-191

1-fluoro-2-iodo-3-methylbenzene Raw materials

1-fluoro-2-iodo-3-methylbenzene Preparation Products

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