Cas no 174274-85-2 (2-(tert-Butyl)-5-nitro-1H-indole)

2-(tert-Butyl)-5-nitro-1H-indole is a nitro-substituted indole derivative characterized by its tert-butyl functional group at the 2-position. This compound is of interest in organic synthesis and pharmaceutical research due to its structural features, which facilitate further functionalization and potential biological activity. The nitro group at the 5-position enhances reactivity, making it a versatile intermediate for the preparation of more complex heterocyclic compounds. Its tert-butyl substituent contributes to steric hindrance, influencing selectivity in chemical transformations. The compound is typically utilized in academic and industrial settings for the development of novel indole-based scaffolds with applications in medicinal chemistry and material science.
2-(tert-Butyl)-5-nitro-1H-indole structure
174274-85-2 structure
Product Name:2-(tert-Butyl)-5-nitro-1H-indole
CAS No:174274-85-2
MF:C12H14N2O2
MW:218.251762866974
MDL:MFCD05224888
CID:843048
PubChem ID:10584913
Update Time:2025-05-21

2-(tert-Butyl)-5-nitro-1H-indole Chemical and Physical Properties

Names and Identifiers

    • 2-(tert-Butyl)-5-nitro-1H-indole
    • 1H-Indole, 2-(1,1-dimethylethyl)-5-nitro-
    • 2-(1,1-dimethylethyl)-5-nitro-1H-Indole
    • 2-tert-butyl-5-nitro-1H-indole
    • 2-tert-Butyl-5-nitroindole
    • MFCD05224888
    • KWEGNNIENUBTCE-UHFFFAOYSA-N
    • DB-064951
    • 2-t-Butyl-5-nitroindole
    • SY114525
    • 2-(tert-Butyl)-5-nitroindole
    • DS-2499
    • DTXSID80442101
    • AKOS016005098
    • SCHEMBL1466050
    • CS-0147720
    • 174274-85-2
    • BCP27768
    • MDL： MFCD05224888
    • Inchi： 1S/C12H14N2O2/c1-12(2,3)11-7-8-6-9(14(15)16)4-5-10(8)13-11/h4-7,13H,1-3H3
    • InChI Key： KWEGNNIENUBTCE-UHFFFAOYSA-N
    • SMILES： [O-][N+](C1C=CC2=C(C=1)C=C(C(C)(C)C)N2)=O

Computed Properties

  • Exact Mass: 218.10600
  • Monoisotopic Mass: 218.105527694g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 280
  • 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: 3.6
  • Topological Polar Surface Area: 61.6?2

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.209
  • Melting Point: No data available
  • Boiling Point: 377.0±22.0 °C at 760 mmHg
  • Flash Point: 181.8±22.3 °C
  • PSA: 61.61000
  • LogP: 3.89680
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

2-(tert-Butyl)-5-nitro-1H-indole Security Information

2-(tert-Butyl)-5-nitro-1H-indole 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%

2-(tert-Butyl)-5-nitro-1H-indole Pricemore >>

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Chemenu
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