Cas no 885521-54-0 (Methyl 3-iodo-1H-indazole-4-carboxylate)

Methyl 3-iodo-1H-indazole-4-carboxylate is a versatile heterocyclic compound featuring an indazole core functionalized with an iodine substituent at the 3-position and a methyl ester group at the 4-position. This structure makes it a valuable intermediate in organic synthesis, particularly for cross-coupling reactions such as Suzuki-Miyaura or Sonogashira couplings, where the iodine acts as a reactive handle. The ester group further enhances its utility by enabling downstream modifications via hydrolysis or transesterification. Its well-defined reactivity and stability under standard conditions make it suitable for pharmaceutical and agrochemical research, where indazole derivatives are often explored for their biological activity. The compound is typically handled under inert conditions to preserve its integrity.
Methyl 3-iodo-1H-indazole-4-carboxylate structure
885521-54-0 structure
Product Name:Methyl 3-iodo-1H-indazole-4-carboxylate
CAS No:885521-54-0
MF:C9H7IN2O2
MW:302.068554162979
MDL:MFCD07781588
CID:890625
PubChem ID:24728203
Update Time:2025-05-28

Methyl 3-iodo-1H-indazole-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 3-iodo-1H-indazole-4-carboxylate
    • 1H-INDAZOLE-4-CARBOXYLIC ACID,3-IODO-,METHYL ESTER
    • methyl 3-iodo-2H-indazole-4-carboxylate
    • Methyl 3-iodo-1H-indazole-4-carboxylate (ACI)
    • SY097488
    • methyl3-iodo-1H-indazole-4-carboxylate
    • SCHEMBL19208648
    • AKOS016009772
    • PS-7124
    • 3-IODO-4-(1H)INDAZOLE CARBOXYLIC ACID METHYL ESTER
    • DA-19325
    • MFCD07781588
    • DTXSID00646260
    • J-522182
    • PB18825
    • CS-0049086
    • 885521-54-0
    • MDL： MFCD07781588
    • Inchi： 1S/C9H7IN2O2/c1-14-9(13)5-3-2-4-6-7(5)8(10)12-11-6/h2-4H,1H3,(H,11,12)
    • InChI Key： ZJEHPJOGJCTNGU-UHFFFAOYSA-N
    • SMILES： O=C(C1C2=C(NN=C2I)C=CC=1)OC

Computed Properties

  • Exact Mass: 301.95500
  • Monoisotopic Mass: 301.95523g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 237
  • 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: 2.1
  • Topological Polar Surface Area: 55?2

Experimental Properties

  • Density: 1.948
  • Boiling Point: 421.4°C at 760 mmHg
  • Flash Point: 208.6°C
  • Refractive Index: 1.72
  • PSA: 54.98000
  • LogP: 1.95410

Methyl 3-iodo-1H-indazole-4-carboxylate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
M177970-1g
Methyl 3-iodo-1H-indazole-4-carboxylate
 885521-54-0 97%
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Alichem
A269001117-5g
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Alichem
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 $695.25 2023-08-31
Alichem
A269001117-25g
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 885521-54-0 95%
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 $1310.40 2023-08-31
TRC
M262723-50mg
Methyl 3-Iodo-1H-indazole-4-carboxylate
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 $ 50.00 2022-06-04
TRC
M262723-100mg
Methyl 3-Iodo-1H-indazole-4-carboxylate
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 $ 65.00 2022-06-04
TRC
M262723-500mg
Methyl 3-Iodo-1H-indazole-4-carboxylate
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 $ 115.00 2022-06-04
Chemenu
CM108906-5g
methyl 3-iodo-1H-indazole-4-carboxylate
 885521-54-0 97%
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 $275 2021-08-06
Chemenu
CM108906-10g
methyl 3-iodo-1H-indazole-4-carboxylate
 885521-54-0 97%
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Chemenu
CM108906-1g
methyl 3-iodo-1H-indazole-4-carboxylate
 885521-54-0 97%
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