Cas no 885522-11-2 (4-Iodo-1H-indazole)

4-Iodo-1H-indazole structure
4-Iodo-1H-indazole structure
Product Name:4-Iodo-1H-indazole
CAS No:885522-11-2
MF:C7H5IN2
MW:244.032473325729
MDL:MFCD07781607
CID:826975
PubChem ID:329764523
Update Time:2024-12-09

4-Iodo-1H-indazole Chemical and Physical Properties

Names and Identifiers

    • 4-Iodo-1H-indazole
    • 4-Iodo indazole
    • 1H-Indazole, 4-iodo-
    • 4-IODO (1H)INDAZOLE
    • 4-Iodoindazole
    • 4-Iodo-1H-indazole (ACI)
    • 4-odoindazole
    • 885522-11-2
    • CS-0037666
    • DB-023141
    • MFCD07781607
    • 4-IODO(1H)INDAZOLE
    • DTXSID10646276
    • PD182233
    • SY035651
    • 4-Iodo-1H-indazole, 95%
    • 888C626XEP
    • BDBM50209235
    • P10510
    • J-515540
    • PB27826
    • SCHEMBL358061
    • DTXCID60597027
    • BCP26449
    • CHEMBL246534
    • CJQXSPSUIGJNJX-UHFFFAOYSA-N
    • AS-50534
    • AKOS015853740
    • 1H-indazole,4-iodo;4-Iodo(1H)indazole
    • MDL： MFCD07781607
    • Inchi： 1S/C7H5IN2/c8-6-2-1-3-7-5(6)4-9-10-7/h1-4H,(H,9,10)
    • InChI Key： CJQXSPSUIGJNJX-UHFFFAOYSA-N
    • SMILES： IC1C2=C(NN=C2)C=CC=1

Computed Properties

  • Exact Mass: 243.95000
  • Monoisotopic Mass: 243.94975g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 129
  • 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: 2.2
  • Topological Polar Surface Area: 28.7?2

Experimental Properties

  • Density: 2.082±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 184-190?°C
  • Boiling Point: 358.2℃ at 760 mmHg
  • Solubility: Very slightly soluble (0.59 g/l) (25 o C),
  • PSA: 28.68000
  • LogP: 2.16750

4-Iodo-1H-indazole Security Information

4-Iodo-1H-indazole Pricemore >>

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4-Iodo-1H-indazole Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Potassium acetate ,  18-Crown-6 Solvents: Chloroform ;  1 h, rt
Reference
4-Substituted indazoles as new inhibitors of neuronal nitric oxide synthase
Boulouard, Michel; Schumann-Bard, Pascale; Butt-Gueulle, Sabrina; Lohou, Elodie; Stiebing, Silvia; et al, Bioorganic & Medicinal Chemistry Letters, 2007, 17(11), 3177-3180

Production Method 2

Reaction Conditions
1.1 Catalysts: Acetyl chloride Solvents: Methanol ;  2 h, rt
1.2 Reagents: Triethylamine ;  rt
Reference
Acetyl chloride-mediated mild and regioselective attachment and removal of tetrahydropyranyl (THP) group
Suresh, Thatipally; Acharyulu, Palle V. R.; Dubey, P. K., International Journal of Chemical Sciences, 2010, 8(3), 2013-2024

Production Method 3

Reaction Conditions
1.1 Reagents: Hydrazine hydrate (1:1) ;  2 h, 120 °C
Reference
Discovery of N-(4-(3-Amino-1H-indazol-4-yl)phenyl)-N'-(2-fluoro-5-methylphenyl)urea (ABT-869), a 3-Aminoindazole-Based Orally Active Multitargeted Receptor Tyrosine Kinase Inhibitor
Dai, Yujia; Hartandi, Kresna; Ji, Zhiqin; Ahmed, Asma A.; Albert, Daniel H.; et al, Journal of Medicinal Chemistry, 2007, 50(7), 1584-1597

4-Iodo-1H-indazole Raw materials

4-Iodo-1H-indazole Preparation Products

4-Iodo-1H-indazole Related Literature

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