Cas no 3780-42-5 (2,4-dimethyl 3-methyl-1H-pyrrole-2,4-dicarboxylate)

2,4-dimethyl 3-methyl-1H-pyrrole-2,4-dicarboxylate structure
3780-42-5 structure
Product Name:2,4-dimethyl 3-methyl-1H-pyrrole-2,4-dicarboxylate
CAS No:3780-42-5
MF:C9H11NO4
MW:197.187942743301
CID:304253
PubChem ID:12317090
Update Time:2025-04-19

2,4-dimethyl 3-methyl-1H-pyrrole-2,4-dicarboxylate Chemical and Physical Properties

Names and Identifiers

    • Dimethyl 3-methyl-1H-pyrrole-2,4-dicarboxylate
    • 1H-Pyrrole-2,4-dicarboxylic acid, 3-methyl-, 2,4-dimethyl ester
    • 3-METHYLPYRROLE-2,4-DICARBOXYLIC ACID DIMETHYL ESTER
    • 3-Methyl-pyrrol-2,4-dicarbonsaeure-dimethylester
    • Dimethyl-3-methyl-pyrrol-2,4-dicarboxylat
    • 2,4-dimethyl 3-methyl-1H-pyrrole-2,4-dicarboxylate
    • CS-0054288
    • DTXSID50487802
    • 3780-42-5
    • A874009
    • Dimethyl3-methyl-1H-pyrrole-2,4-dicarboxylate
    • AKOS006304551
    • SCHEMBL4046793
    • AB56143
    • MDL: MFCD10565692
    • Inchi: 1S/C9H11NO4/c1-5-6(8(11)13-2)4-10-7(5)9(12)14-3/h4,10H,1-3H3
    • InChI Key: QUIWKVDFKYXEFF-UHFFFAOYSA-N
    • SMILES: O(C)C(C1=C(C)C(C(=O)OC)=CN1)=O

Computed Properties

  • Exact Mass: 197.06900
  • Monoisotopic Mass: 197.06880783g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 241
  • 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: 1.1
  • Topological Polar Surface Area: 68.4?2

Experimental Properties

  • Density: 1.234
  • Boiling Point: 340.986°C at 760 mmHg
  • Flash Point: 160.023°C
  • Refractive Index: 1.526
  • PSA: 68.39000
  • LogP: 0.89630

2,4-dimethyl 3-methyl-1H-pyrrole-2,4-dicarboxylate 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%

2,4-dimethyl 3-methyl-1H-pyrrole-2,4-dicarboxylate Pricemore >>

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