Cas no 1197-12-2 (Methyl 4,5-dichloro-1H-pyrrole-2-carboxylate)

Methyl 4,5-dichloro-1H-pyrrole-2-carboxylate is a chlorinated pyrrole derivative with applications in pharmaceutical and agrochemical synthesis. Its structure features reactive sites at the 4,5-dichloro and ester-functionalized positions, enabling versatile derivatization for heterocyclic chemistry. The compound serves as a key intermediate in the preparation of bioactive molecules, particularly those targeting antimicrobial or pesticidal activity. Its stability under standard conditions and compatibility with common organic solvents facilitate handling in multistep syntheses. The dichloro substitution enhances electrophilic reactivity, while the methyl ester group offers flexibility for further functionalization via hydrolysis or transesterification. This balance of reactivity and stability makes it a valuable building block in medicinal and industrial chemistry research.
Methyl 4,5-dichloro-1H-pyrrole-2-carboxylate structure
1197-12-2 structure
Product Name:Methyl 4,5-dichloro-1H-pyrrole-2-carboxylate
CAS No:1197-12-2
MF:C6H5Cl2NO2
MW:194.015399694443
MDL:MFCD13193111
CID:1027570
PubChem ID:11615336
Update Time:2025-05-28

Methyl 4,5-dichloro-1H-pyrrole-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 4,5-dichloro-1H-pyrrole-2-carboxylate
    • 4,5-Dichlor-1H-pyrrol-2-carbonsaeure-methylester
    • 4,5-dichloro-pyrrole-2-carboxylic acid methyl ester
    • 4,5-Dichlor-pyrrol-2-carbonsaeure-methylester
    • methyl 4,5-dichloro-pyrrole-2-carboxylate
    • methyldichloropyrrolecarboxylate
    • Methyl4,5-dichloro-1H-pyrrole-2-carboxylate
    • AKOS005073279
    • J-522274
    • 1197-12-2
    • BAA19712
    • LD-0244
    • SB63241
    • DTXSID60469477
    • 1H-Pyrrole-2-carboxylic acid, 4,5-dichloro-, methyl ester
    • CS-0038222
    • MFCD13193111
    • SCHEMBL3338566
    • MDL： MFCD13193111
    • Inchi： 1S/C6H5Cl2NO2/c1-11-6(10)4-2-3(7)5(8)9-4/h2,9H,1H3
    • InChI Key： QDFVSOPGBXZRSC-UHFFFAOYSA-N
    • SMILES： ClC1=C(C=C(C(=O)OC)N1)Cl

Computed Properties

  • Exact Mass: 192.97000
  • Monoisotopic Mass: 192.9697338g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 165
  • 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: 2.5
  • Topological Polar Surface Area: 42.1?2

Experimental Properties

  • Density: 1.498
  • Melting Point: 163-164°
  • Boiling Point: 324.578°C at 760 mmHg
  • Flash Point: 150.1°C
  • Refractive Index: 1.566
  • PSA: 42.09000
  • LogP: 2.10810

Methyl 4,5-dichloro-1H-pyrrole-2-carboxylate Security Information

  • HazardClass：IRRITANT

Methyl 4,5-dichloro-1H-pyrrole-2-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 4,5-dichloro-1H-pyrrole-2-carboxylate Pricemore >>

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abcr
AB270223-500 mg
Methyl 4,5-dichloro-1H-pyrrole-2-carboxylate, 95%; .
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abcr
AB270223-1 g
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abcr
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