Cas no 1040101-01-6 (3-Bromo-1H-indazole-7-carboxylic acid)

3-Bromo-1H-indazole-7-carboxylic acid is a heterocyclic compound featuring a bromo-substituted indazole core with a carboxylic acid functional group at the 7-position. This structure makes it a valuable intermediate in pharmaceutical and agrochemical synthesis, particularly for the development of bioactive molecules. The bromine substituent enhances reactivity for further functionalization via cross-coupling reactions, while the carboxylic acid group allows for derivatization into esters, amides, or other derivatives. Its high purity and well-defined structure ensure consistent performance in research and industrial applications. This compound is particularly useful in medicinal chemistry for the design of kinase inhibitors and other therapeutic agents.
3-Bromo-1H-indazole-7-carboxylic acid structure
1040101-01-6 structure
Product Name:3-Bromo-1H-indazole-7-carboxylic acid
CAS No:1040101-01-6
MF:C8H5BrN2O2
MW:241.0415
MDL:MFCD11977526
CID:97893
PubChem ID:44585511
Update Time:2025-10-19

3-Bromo-1H-indazole-7-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Bromo-1H-indazole-7-carboxylic acid
    • 1H-Indazole-7- carboxylic acid, 3-bromo-
    • 3-bromo-2H-indazole-7-carboxylic acid
    • 1H-Indazole-7-carboxylicacid,3-bromo
    • 3-Bromo-1H-indazole-7-carboxylicacid
    • 0938AA
    • BDBM50270531
    • FCH1408923
    • 1H-Indazole-7-carboxylicacid, 3-bromo-
    • AX8158456
    • 3-Bromo-1H-indazole-7-carboxylic acid, AldrichCPR
    • 1H-INDAZOLE-7-CARBOXYLIC ACID, 3-BROMO-
    • 1040101-01-6
    • SY114252
    • MFCD11977526
    • CHEMBL510692
    • AKOS016004425
    • DS-11112
    • XH1516
    • DTXSID60659578
    • CS-0039505
    • MDL： MFCD11977526
    • Inchi： 1S/C8H5BrN2O2/c9-7-4-2-1-3-5(8(12)13)6(4)10-11-7/h1-3H,(H,10,11)(H,12,13)
    • InChI Key： SHOGUOJFKMABOH-UHFFFAOYSA-N
    • SMILES： BrC1=C2C([H])=C([H])C([H])=C(C(=O)O[H])C2=NN1[H]

Computed Properties

  • Exact Mass: 239.95300
  • Monoisotopic Mass: 239.953
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 224
  • 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: 66
  • XLogP3: 2.1

Experimental Properties

  • Density: 1.946
  • Boiling Point: 493.4°C at 760 mmHg
  • Flash Point: 252.2 °C
  • PSA: 65.98000
  • LogP: 2.02360

3-Bromo-1H-indazole-7-carboxylic acid Security Information

3-Bromo-1H-indazole-7-carboxylic acid Customs Data

  • HS CODE：2933990090
  • Customs Data：

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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