Cas no 13096-96-3 (4-chloro-1H-indazole)

4-Chloro-1H-indazole is a heterocyclic aromatic compound featuring a chloro-substituted indazole core, widely utilized as a versatile intermediate in pharmaceutical and agrochemical synthesis. Its indazole scaffold is particularly valuable in medicinal chemistry for designing bioactive molecules, including kinase inhibitors and receptor modulators. The chloro substituent enhances reactivity, facilitating further functionalization via cross-coupling or nucleophilic substitution reactions. This compound exhibits high purity and stability, making it suitable for rigorous synthetic applications. Its structural properties contribute to its role in developing novel therapeutic agents, particularly in oncology and CNS drug discovery. Proper handling under controlled conditions is recommended due to its potential sensitivity to light and moisture.
4-chloro-1H-indazole structure
4-chloro-1H-indazole structure
Product Name:4-chloro-1H-indazole
CAS No:13096-96-3
MF:C7H5ClN2
MW:152.581000089645
MDL:MFCD00211065
CID:49034
PubChem ID:393037
Update Time:2025-05-20

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

Names and Identifiers

    • 4-chloro-1H-indazole
    • 4-CHLORO (1H)INDAZOLE
    • 4-chloro-3a,7a-dihydro-1H-indazole
    • 4-chloro-1H-indazole(SALTDATA: FREE)
    • 4-Chloroindazole
    • 1H-Indazole, 4-chloro-
    • 4-chloro-3a,7a-dihydro-1H-indazol
    • 4-CHLORO-1H-INDAZOLE, 95+%
    • G10227
    • 4-Chloro-1H-indazole, 97%
    • BDBM50209234
    • CS-M0440
    • A15192
    • AKOS005072012
    • 6U6PT5XJ7G
    • FT-0645781
    • CHEMBL246533
    • CB-0825
    • CQTGQYVQJOJQCM-UHFFFAOYSA-N
    • PD182116
    • AM20020388
    • BCP27008
    • SY039918
    • 4-Chloro-1H-indazole, AldrichCPR
    • 4-chloro-1H-indazole;4-Chloroindazole
    • J-514881
    • SCHEMBL476854
    • 13096-96-3
    • NSC694315
    • 4-chloro-indazole
    • MFCD00211065
    • 4-Chloro-2H-indazole
    • Z1116312852
    • NCI60_033767
    • UNII-6U6PT5XJ7G
    • NSC-694315
    • PB29043
    • DTXSID40156818
    • NSC 694315
    • 4-CHLORO(1H)INDAZOLE
    • EN300-218975
    • 2911616-27-6
    • DTXCID9079309
    • 4-Chloroindazole;1H-Indazole, 4-chloro-
    • DB-026197
    • BBL102457
    • STL556259
    • MDL: MFCD00211065
    • Inchi: 1S/C7H5ClN2/c8-6-2-1-3-7-5(6)4-9-10-7/h1-4H,(H,9,10)
    • InChI Key: CQTGQYVQJOJQCM-UHFFFAOYSA-N
    • SMILES: ClC1=CC=CC2=C1C=NN2

Computed Properties

  • Exact Mass: 152.01400
  • Monoisotopic Mass: 152.014
  • 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
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: 2.2
  • Topological Polar Surface Area: 28.7A^2

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.4±0.1 g/cm3
  • Melting Point: 155-160?°C
  • Boiling Point: 309.5±15.0 °C at 760 mmHg
  • Flash Point: 169.9±6.0 °C
  • Refractive Index: 1.703
  • PSA: 28.68000
  • LogP: 2.21630
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

4-chloro-1H-indazole Security Information

  • Symbol: GHS06
  • Signal Word:Danger
  • Hazard Statement: H301
  • Warning Statement: P301+P310
  • Hazardous Material transportation number:UN 2811 6.1 / PGIII
  • WGK Germany:3
  • Hazard Category Code: 25
  • Safety Instruction: 45
  • Hazardous Material Identification: Xi
  • HazardClass:6.1
  • Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)

4-chloro-1H-indazole 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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4-chloro-1H-indazole Production Method

4-chloro-1H-indazole Suppliers

Amadis Chemical Company Limited
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Audited Supplier Audited Supplier
(CAS:13096-96-3)4-chloro-1H-indazole
Order Number:A15192
Stock Status:in Stock
Quantity:25g/100g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:00
Price ($):206.0/824.0

4-chloro-1H-indazole Related Literature

Additional information on 4-chloro-1H-indazole

4-Chloro-1H-Indazole: A Comprehensive Overview

4-Chloro-1H-indazole, with the CAS number 13096-96-3, is a heterocyclic aromatic compound that has garnered significant attention in the fields of organic chemistry, pharmacology, and materials science. This compound is characterized by its indazole ring system, which consists of a benzene ring fused to a pyrazole ring, with a chlorine substituent at the 4-position. The unique electronic properties and structural features of 4-chloro-1H-indazole make it a valuable building block for various applications, particularly in drug discovery and advanced materials.

The synthesis of 4-chloro-1H-indazole typically involves multi-step processes, often starting from simple precursors like o-phenylenediamine or indole derivatives. Recent advancements in catalytic methods and green chemistry have enabled more efficient and environmentally friendly routes for its production. For instance, researchers have explored the use of transition metal catalysts to facilitate the formation of the indazole ring system under mild conditions. These developments not only enhance the scalability of synthesis but also align with the growing demand for sustainable chemical processes.

4-Chloro-1H-indazole exhibits intriguing electronic properties due to its conjugated π-system and the electron-withdrawing effect of the chlorine substituent. These properties have been leveraged in the development of novel materials, such as organic semiconductors and light-emitting diodes (LEDs). Recent studies have demonstrated that incorporating 4-chloro-1H-indazole into polymer frameworks can significantly improve charge transport characteristics, making it a promising candidate for next-generation electronic devices.

In the realm of pharmacology, 4-chloro-1H-indazole has shown potential as a lead compound for drug development. Its ability to modulate various biological targets, such as kinases and ion channels, has been extensively investigated. For example, researchers have reported that derivatives of 4-chloro-1H-indazole exhibit potent anti-inflammatory and anticancer activities in preclinical models. These findings underscore its versatility as a scaffold for designing bioactive molecules.

The application of computational chemistry has further deepened our understanding of 4-chloro-1H-indazole's properties. Advanced molecular modeling techniques have been employed to predict its interaction with biological targets and optimize its pharmacokinetic profiles. Such insights are invaluable for guiding experimental efforts and accelerating drug discovery pipelines.

In conclusion, 4-chloro-1H-indazole, with its unique chemical structure and versatile properties, continues to be a focal point in diverse scientific disciplines. As research progresses, particularly in areas such as sustainable synthesis methods and advanced material applications, this compound is poised to play an increasingly important role in both academic and industrial settings.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:13096-96-3)4-chloro-1H-indazole
A15192
Purity:99%/99%
Quantity:25g/100g
Price ($):206.0/824.0
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