Cas no 111468-90-7 (1-5-(2,2,2-Trichloroacetyl)-1H-pyrrol-3-yl-1-propanone)

1-5-(2,2,2-Trichloroacetyl)-1H-pyrrol-3-yl-1-propanone is a specialized organic compound featuring a trichloroacetyl group attached to a pyrrole ring, further extended by a propanone moiety. This structure imparts reactivity suitable for applications in synthetic chemistry, particularly as an intermediate in the preparation of heterocyclic compounds. The trichloroacetyl group enhances electrophilic character, facilitating nucleophilic substitution or condensation reactions. Its pyrrole core offers versatility in constructing pharmacologically relevant scaffolds. The compound’s defined molecular architecture ensures consistent performance in controlled synthetic processes. Handling requires standard precautions for halogenated ketones, including proper ventilation and protective equipment. It is primarily utilized in research and development settings for exploratory organic synthesis.
1-5-(2,2,2-Trichloroacetyl)-1H-pyrrol-3-yl-1-propanone structure
111468-90-7 structure
Product Name:1-5-(2,2,2-Trichloroacetyl)-1H-pyrrol-3-yl-1-propanone
CAS No:111468-90-7
MF:C9H8Cl3NO2
MW:268.524319648743
MDL:MFCD00141837
CID:177053
PubChem ID:2768551
Update Time:2025-10-10

1-5-(2,2,2-Trichloroacetyl)-1H-pyrrol-3-yl-1-propanone Chemical and Physical Properties

Names and Identifiers

    • 1-(5-(2,2,2-Trichloroacetyl)-1H-pyrrol-3-yl)propan-1-one
    • 1-[5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl]-1-propanone
    • 1-[5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl]propan-1-one
    • 1-Propanone,1-[5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl]-
    • 1-[5-(2,2,2-trichloro-acetyl)-1H-pyrrol-3-yl]-propan-1-one
    • 1-Propanone,1-[5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl]
    • 4-propionyl-2-(trichloroacetyl)pyrrole
    • trichloroacetylpyrrolylpropanone
    • 1-Propanone, 1-[5-(trichloroacetyl)-1H-pyrrol-3-yl]-
    • 1-[5-(trichloroacetyl)-1H-pyrrol-3-yl]propan-1-one
    • 1-Propanone,1-[5-(trichloroacetyl)-1H-pyrrol-3-yl]-
    • C9H8Cl3NO2
    • LCPFRWWWCIWDTO-UHFFFAOYSA-N
    • ZIN
    • 12C-031
    • DTXSID20377660
    • 3-carbamoyl-3,3-diphenylpropyl(ethyl)dimethylammoniumbromide
    • J-503383
    • 111468-90-7
    • SCHEMBL5384059
    • AC-29058
    • 1-[5-(2,2,2-Trichloro-acetyl)-1H-pyrrol-3-yl)-propan-1-one
    • AKOS005069551
    • FT-0680055
    • MFCD00141837
    • SB63473
    • CS-M2116
    • 1-5-(2,2,2-Trichloroacetyl)-1H-pyrrol-3-yl-1-propanone
    • MDL： MFCD00141837
    • Inchi： 1S/C9H8Cl3NO2/c1-2-7(14)5-3-6(13-4-5)8(15)9(10,11)12/h3-4,13H,2H2,1H3
    • InChI Key： LCPFRWWWCIWDTO-UHFFFAOYSA-N
    • SMILES： ClC(C(C1=CC(C(CC)=O)=CN1)=O)(Cl)Cl

Computed Properties

  • Exact Mass: 266.96200
  • Monoisotopic Mass: 266.962062
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 275
  • 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: 49.9
  • XLogP3: 2.7

Experimental Properties

  • Density: 1.479
  • Melting Point: 190-192°C
  • Boiling Point: 392.7°Cat760mmHg
  • Flash Point: 191.3°C
  • Refractive Index: 1.573
  • PSA: 49.93000
  • LogP: 3.16030

1-5-(2,2,2-Trichloroacetyl)-1H-pyrrol-3-yl-1-propanone Security Information

  • HazardClass：IRRITANT

1-5-(2,2,2-Trichloroacetyl)-1H-pyrrol-3-yl-1-propanone 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%

1-5-(2,2,2-Trichloroacetyl)-1H-pyrrol-3-yl-1-propanone Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Fluorochem
217694-1g
1-(5-(2,2,2-Trichloroacetyl)-1H-pyrrol-3-yl)propan-1-one
 111468-90-7 95%
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 ￡113.00 2022-03-01
Fluorochem
217694-5g
1-(5-(2,2,2-Trichloroacetyl)-1H-pyrrol-3-yl)propan-1-one
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Chemenu
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Chemenu
CM198232-250mg
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 111468-90-7 95%+
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Chemenu
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Chemenu
CM198232-5g
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TRC
T027130-250mg
1-[5-(2,2,2-Trichloroacetyl)-1H-pyrrol-3-yl]-1-propanone
 111468-90-7
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TRC
T027130-500mg
1-[5-(2,2,2-Trichloroacetyl)-1H-pyrrol-3-yl]-1-propanone
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SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
T19050-1g
1-(5-(2,2,2-Trichloroacetyl)-1H-pyrrol-3-yl)propan-1-one
 111468-90-7 98%
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SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
T19050-250mg
1-(5-(2,2,2-Trichloroacetyl)-1H-pyrrol-3-yl)propan-1-one
 111468-90-7 98%
250mg
 ￥1502.0 2023-09-06

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