Cas no 69687-80-5 (Methyl 2,5-dimethyl-1H-pyrrole-3-carboxylate)

Methyl 2,5-dimethyl-1H-pyrrole-3-carboxylate structure
69687-80-5 structure
Product Name:Methyl 2,5-dimethyl-1H-pyrrole-3-carboxylate
CAS No:69687-80-5
MF:C8H11NO2
MW:153.178442239761
MDL:MFCD00203859
CID:90477
PubChem ID:592729
Update Time:2025-04-18

Methyl 2,5-dimethyl-1H-pyrrole-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 2,5-dimethyl-1H-pyrrole-3-carboxylate
    • Methyl 2,5-dimethylpyrrole-3-carboxylate
    • 2,5-Dimethyl-3-methoxycarbonyl-pyrrol
    • 2,5-Dimethyl-pyrrol-3-carbonsaeure-methylester
    • 2,5-dimethyl-pyrrole-3-carboxylic acid methyl ester
    • 2,5-Dimethyl-1H-pyrrole-3-carboxylic acid methyl ester
    • 2,5-Dimethylpyrrole-3-carboxylic acid methyl ester
    • CHEBI:183474
    • 2,5-dimethyl,4-(carbomethoxy) pyrrole
    • MFCD00203859
    • SCHEMBL78402
    • Maybridge1_008495
    • Methyl2,5-dimethyl-1H-pyrrole-3-carboxylate
    • HMS565K03
    • CCG-41625
    • SY101030
    • DTXSID70343855
    • 1H-Pyrrole-3-carboxylic acid, 2,5-dimethyl-, methyl ester
    • 1H-Pyrrole-3-carboxylicacid,2,5-dimethyl-,methyl ester
    • 69687-80-5
    • AS-40808
    • A836610
    • SB62124
    • SR-01000631686-1
    • CS-0038238
    • Methyl 2,5-dimethyl-1H-pyrrole-3-carboxylate #
    • FT-0628417
    • AKOS006229774
    • BCP14064
    • 2,5-Dimethylpyrrole-3-carboxylic acid methyl ester;2,5-Dimethyl-1h-pyrrole-3-carboxylic acid methyl ester;
    • MDL： MFCD00203859
    • Inchi： 1S/C8H11NO2/c1-5-4-7(6(2)9-5)8(10)11-3/h4,9H,1-3H3
    • InChI Key： OQWZEJIISPYZPW-UHFFFAOYSA-N
    • SMILES： O(C)C(C1C=C(C)NC=1C)=O

Computed Properties

  • Exact Mass: 153.07900
  • Monoisotopic Mass: 153.079
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 158
  • 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
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: 1.4
  • Topological Polar Surface Area: 42.1A^2

Experimental Properties

  • Color/Form: Slightly white powder.
  • Density: 1.108
  • Melting Point: 115 °C
  • Boiling Point: 294 oC
  • Flash Point: 132 oC
  • Refractive Index: 1.521
  • PSA: 42.09000
  • LogP: 1.41810
  • Solubility: Insoluble in water

Methyl 2,5-dimethyl-1H-pyrrole-3-carboxylate Security Information

  • Hazard Category Code： 36/37/38
  • Safety Instruction： S26-S37
  • Hazardous Material Identification： Xi
  • Safety Term：S26;S37/39
  • Risk Phrases：R36/37/38

Methyl 2,5-dimethyl-1H-pyrrole-3-carboxylate 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%

Methyl 2,5-dimethyl-1H-pyrrole-3-carboxylate Pricemore >>

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