Cas no 4498-74-2 (3-Benzyl-1H-indazole)

3-Benzyl-1H-indazole is a versatile heterocyclic compound known for its tunable physical and chemical properties. Its substitution pattern offers a platform for various synthetic transformations, making it a valuable building block in pharmaceutical and materials science research. The compound's structural diversity allows for the development of novel compounds with potential applications in drug discovery and material development.
3-Benzyl-1H-indazole structure
3-Benzyl-1H-indazole structure
Product Name:3-Benzyl-1H-indazole
CAS No:4498-74-2
MF:C14H12N2
MW:208.258482933044
MDL:MFCD01565718
CID:45115
PubChem ID:3139604
Update Time:2025-07-23

3-Benzyl-1H-indazole Chemical and Physical Properties

Names and Identifiers

    • 3-Benzyl-1H-indazole
    • 3-(Phenylmethyl)-1h-Indazole
    • 3-benzyl-2H-indazole
    • 1H-Indazole,3-(phenylmethyl)
    • 3-benzyl-1(2)H-indazole
    • 3-Benzyl-indazol
    • 3-benzylindazole
    • benzylindazole
    • Benzyl-indazole
    • PubChem11852
    • Oprea1_063944
    • 1H-Indazole,3-(phenylmethyl)-
    • XSFVAQRSZSENGO-UHFFFAOYSA-N
    • HMS1687L21
    • 6212AB
    • BAS 02226615
    • AK111049
    • AX8170756
    • 498B742
    • AKOS015917965
    • CHEMBL3965465
    • FT-0604099
    • SR-01000451357
    • CS-0186770
    • 4498-74-2
    • SCHEMBL248215
    • EU-0073526
    • DTXSID50389716
    • MFCD01565718
    • SR-01000451357-1
    • C75220
    • DS-5031
    • A7115
    • DB-070617
    • MDL: MFCD01565718
    • Inchi: 1S/C14H12N2/c1-2-6-11(7-3-1)10-14-12-8-4-5-9-13(12)15-16-14/h1-9H,10H2,(H,15,16)
    • InChI Key: XSFVAQRSZSENGO-UHFFFAOYSA-N
    • SMILES: N1C(=C2C=CC=CC2=N1)CC1C=CC=CC=1

Computed Properties

  • Exact Mass: 208.10000
  • Monoisotopic Mass: 208.1
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 223
  • 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: 28.7
  • XLogP3: 3.5

Experimental Properties

  • Density: 1.193
  • Boiling Point: 277.6°C at 760 mmHg
  • Flash Point: 110.3°C
  • Refractive Index: 1.679
  • PSA: 28.68000
  • LogP: 3.15370

3-Benzyl-1H-indazole Security Information

  • Signal Word:Warning
  • Hazard Statement: H302
  • Warning Statement: P280-P305+P351+P338
  • Storage Condition:Inert atmosphere,Room Temperature

3-Benzyl-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%

3-Benzyl-1H-indazole Pricemore >>

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