Cas no 10511-51-0 (1-Benzyl-1H-indole-3-carbaldehyde)

1-Benzyl-1H-indole-3-carbaldehyde is a versatile indole derivative widely used in organic synthesis and pharmaceutical research. Its structure features a benzyl group at the 1-position and a formyl group at the 3-position of the indole ring, making it a valuable intermediate for constructing more complex heterocyclic compounds. The compound exhibits high reactivity in condensation and nucleophilic addition reactions, facilitating the synthesis of biologically active molecules. Its stability under standard conditions and well-defined crystalline form ensure consistent performance in laboratory applications. Researchers favor this compound for its efficiency in producing indole-based scaffolds, which are critical in medicinal chemistry and material science.
1-Benzyl-1H-indole-3-carbaldehyde structure
10511-51-0 structure
Product Name:1-Benzyl-1H-indole-3-carbaldehyde
CAS No:10511-51-0
MF:C16H13NO
MW:235.280524015427
MDL:MFCD00022894
CID:221861
PubChem ID:57653964
Update Time:2025-06-06

1-Benzyl-1H-indole-3-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 1-Benzyl-1H-indole-3-carbaldehyde
    • 1-BENZYL-1H-INDOLE-3-CARBOXALDEHYDE
    • 1-benzylindole-3-carbaldehyde
    • 1-Benzylindole-3-carboxaldehyde
    • 1H-Indole-3-carboxaldehyde,1-(phenylmethyl)-
    • 1-benzyl-3-indole carboxaldehyde
    • 1-Benzyl-3-indolylaldehyde
    • 1-benzylindol-3-carboxaldehyde
    • N-benzylindole-3-carboxaldehyde
    • 1-Benzyl-3-formylindole
    • NSC 95434
    • ASISCHEM R41418
    • BUTTPARK 97\57-100
    • TIMTEC-BB SBB003250
    • 1-(benzyl)indole-3-carbaldehyde
    • AKOS BBS-00004798
    • OTAVA-BB BB7211740014
    • OXCITQLDOUGVRZ-UHFFFAOYSA-N
    • 1-phenylmethyl-indole-3-carboxaldehyde
    • DTXSID20294242
    • BB 0217312
    • F0266-0929
    • FT-0607386
    • NSC-95434
    • Z56785554
    • D85426
    • MFCD00022894
    • W-204544
    • 10511-51-0
    • CHEMBL1775116
    • AKOS000100223
    • AM10038
    • EN300-00958
    • NSC95434
    • CS-0116564
    • PS-7661
    • SCHEMBL1418988
    • 1h-indole-3-carboxaldehyde, 1-(phenylmethyl)-
    • DB-040588
    • ALBB-001166
    • BBL009185
    • STK409632
    • MDL: MFCD00022894
    • Inchi: 1S/C16H13NO/c18-12-14-11-17(10-13-6-2-1-3-7-13)16-9-5-4-8-15(14)16/h1-9,11-12H,10H2
    • InChI Key: OXCITQLDOUGVRZ-UHFFFAOYSA-N
    • SMILES: O=CC1=CN(CC2C=CC=CC=2)C2C=CC=CC=21

Computed Properties

  • Exact Mass: 235.10000
  • Monoisotopic Mass: 235.1
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 285
  • 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: 22A^2
  • XLogP3: 3.1

Experimental Properties

  • Density: 1.1
  • Melting Point: 107℃
  • Boiling Point: 439.8°Cat760mmHg
  • Flash Point: 219.8°C
  • Refractive Index: 1.606
  • PSA: 22.00000
  • LogP: 3.50210

1-Benzyl-1H-indole-3-carbaldehyde Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H302-H317
  • Warning Statement: P280
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 22-43
  • Safety Instruction: 36/37
  • Hazardous Material Identification: Xn C Xi
  • Safety Term:S24/25
  • HazardClass:IRRITANT
  • Storage Condition:?20°C
  • Risk Phrases:R22

1-Benzyl-1H-indole-3-carbaldehyde 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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