Cas no 89284-85-5 (Methyl 2,5,6-trichloropyrimidine-4-carboxylate)

Methyl 2,5,6-trichloropyrimidine-4-carboxylate is a chlorinated pyrimidine derivative with significant utility in organic synthesis and pharmaceutical intermediates. Its trifunctional reactivity, attributed to the three chlorine substituents, allows for selective substitution reactions, enabling the construction of diverse heterocyclic frameworks. The ester group at the 4-position further enhances its versatility, facilitating transformations such as hydrolysis or nucleophilic displacement. This compound is particularly valued for its role in the synthesis of agrochemicals, bioactive molecules, and specialized materials. High purity and stability under standard conditions make it a reliable reagent for precision applications in medicinal chemistry and material science.
Methyl 2,5,6-trichloropyrimidine-4-carboxylate structure
89284-85-5 structure
Product Name:Methyl 2,5,6-trichloropyrimidine-4-carboxylate
CAS No:89284-85-5
MF:C6H3Cl3N2O2
MW:241.459218263626
MDL:MFCD12025876
CID:733554
PubChem ID:248061
Update Time:2025-05-28

Methyl 2,5,6-trichloropyrimidine-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 2,5,6-trichloropyrimidine-4-carboxylate
    • 4-Pyrimidinecarboxylicacid, 2,5,6-trichloro-, methyl ester
    • METHYL 2,5,6-TRICHLORO-4-PYRIMIDINECARBOXYLATE
    • NSC 64342
    • NSC64342
    • NCIOpen2_002887
    • TVFOOGACHSHHSX-UHFFFAOYSA-N
    • SBB099466
    • 4747AC
    • SB21821
    • NCI60_014682
    • SY233092
    • ST1141082
    • 6-methoxycarbony-2,4,5-trichloropyrimidine
    • 6-methoxycarbonyl-2,4,
    • Methyl 2,5,6-trichloro-4-pyrimidinecarboxylate (ACI)
    • 2,5,6-Trichloro-pyrimidine-4-carboxylic acid methyl ester
    • 6-Methoxycarbonyl-2,4,5-trichloropyrimidine
    • 89284-85-5
    • AKOS005072014
    • CD-0064
    • MFCD12025876
    • C6H3Cl3N2O2
    • P11334
    • CS-0045736
    • NSC-64342
    • DTXSID00289797
    • J-521894
    • methyl2,5,6-trichloropyrimidine-4-carboxylate
    • CHEMBL2003186
    • SCHEMBL117827
    • MDL： MFCD12025876
    • Inchi： 1S/C6H3Cl3N2O2/c1-13-5(12)3-2(7)4(8)11-6(9)10-3/h1H3
    • InChI Key： TVFOOGACHSHHSX-UHFFFAOYSA-N
    • SMILES： O=C(C1C(Cl)=C(Cl)N=C(Cl)N=1)OC

Computed Properties

  • Exact Mass: 239.92600
  • Monoisotopic Mass: 239.926
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 204
  • 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: 52.1
  • XLogP3: 2.9

Experimental Properties

  • Density: 1.613±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 46-49°
  • Boiling Point: 342.7℃ at 760 mmHg
  • Flash Point: 161°C
  • Refractive Index: 1.567
  • Solubility: Very slightly soluble (0.58 g/l) (25 o C),
  • PSA: 52.08000
  • LogP: 2.22340

Methyl 2,5,6-trichloropyrimidine-4-carboxylate Security Information

  • HazardClass：IRRITANT

Methyl 2,5,6-trichloropyrimidine-4-carboxylate Customs Data

  • HS CODE：2933599090
  • Customs Data：

    China Customs Code:

    2933599090

    Overview:

    2933599090. Other compounds with pyrimidine ring in structure(Including other compounds with piperazine ring on the structure. 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:

    2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Methyl 2,5,6-trichloropyrimidine-4-carboxylate Pricemore >>

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Methyl 2,5,6-trichloropyrimidine-4-carboxylate Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:89284-85-5)Methyl 2,5,6-trichloropyrimidine-4-carboxylate
Order Number:A861247
Stock Status:in Stock
Quantity:5.0g/10.0g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 08:28
Price ($):457.0/868.0

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Recommended suppliers
Amadis Chemical Company Limited
(CAS:89284-85-5)Methyl 2,5,6-trichloropyrimidine-4-carboxylate
A861247
Purity:99%/99%
Quantity:5.0g/10.0g
Price ($):457.0/868.0
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