Cas no 5434-29-7 (3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid)

3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid structure
5434-29-7 structure
Product Name:3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid
CAS No:5434-29-7
MF:C8H9NO4
MW:183.161362409592
MDL:MFCD00826671
CID:45867
PubChem ID:225903
Update Time:2025-04-18

3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid
    • 3,5-Dimethylpyrrole-2,4-dicarboxylic acid
    • 2,4-Dimethyl-1H-pyrrole-3,5-dicarboxylic acid
    • 3,5-Dimethyl-pyrrol-2,4-dicarbonsaeure
    • 3,5-dimethyl-pyrrole-2,4-dicarboxylic acid
    • 3,5-Dimethyl-2,4-pyrroledicarboxylic acid
    • NSC15758
    • Oprea1_664742
    • STK373647
    • SBB083436
    • 7830AB
    • R3881
    • ST50884559
    • D80015
    • 434D297
    • 1H-Pyrrole-2,4-dicarboxylicaci
    • NSC-15758
    • 1H-Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-
    • 5434-29-7
    • SCHEMBL5513393
    • 2-Benzothiazolamine, 4,5-dimethyl-
    • AC-6179
    • MFCD00826671
    • FT-0684093
    • O10924
    • 3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylicacid
    • DTXSID20280180
    • AKOS001098671
    • NSC 15758
    • Z57986545
    • SB63902
    • AS-50104
    • EN300-12033
    • CS-0153630
    • ALBB-016932
    • AG-205/10987036
    • MDL: MFCD00826671
    • Inchi: 1S/C8H9NO4/c1-3-5(7(10)11)4(2)9-6(3)8(12)13/h9H,1-2H3,(H,10,11)(H,12,13)
    • InChI Key: LGAFIBCWNKPENX-UHFFFAOYSA-N
    • SMILES: OC(C1=C(C)NC(C(=O)O)=C1C)=O

Computed Properties

  • Exact Mass: 183.05300
  • Monoisotopic Mass: 183.053
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 240
  • 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: 90.4
  • XLogP3: 0.9

Experimental Properties

  • Density: 1.461
  • Boiling Point: 456.8 °C at 760 mmHg
  • Flash Point: 230.1 °C
  • PSA: 90.39000
  • LogP: 1.02790

3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid Security Information

  • HazardClass:IRRITANT

3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid 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%

3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid Pricemore >>

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