Cas no 850429-61-7 (methyl 2-chloro-1,3-thiazole-4-carboxylate)

Methyl 2-chloro-1,3-thiazole-4-carboxylate is a versatile heterocyclic compound featuring a thiazole core substituted with a chloro group at the 2-position and a carboxylate ester at the 4-position. This structure makes it a valuable intermediate in organic synthesis, particularly for the preparation of pharmaceuticals, agrochemicals, and functional materials. The chloro group enhances reactivity for further functionalization, while the ester moiety offers flexibility for hydrolysis or derivatization. Its stability under standard conditions and compatibility with various reaction conditions contribute to its utility in multi-step synthetic routes. The compound is commonly employed in the development of biologically active molecules, including potential antimicrobial and antiviral agents.
methyl 2-chloro-1,3-thiazole-4-carboxylate structure
850429-61-7 structure
Product Name:methyl 2-chloro-1,3-thiazole-4-carboxylate
CAS No:850429-61-7
MF:C5H4ClNO2S
MW:177.608758926392
MDL:MFCD06659909
CID:68959
PubChem ID:7213135
Update Time:2025-06-06

methyl 2-chloro-1,3-thiazole-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 2-chloro-4-thiazolecarboxylate
    • C5H4ClNO2S
    • methyl 2-chloro-1,3-thiazole-4-carboxylate
    • Methyl 2-chlorothiazole-4-carboxylate
    • 4-THIAZOLECARBOXYLICACID, 2-CHLORO-, METHYL ESTER
    • methyl 2-chlorothiazole-5-carboxylate
    • 2-Chlorothiazole-4-carboxylic acid methyl ester
    • CL2506
    • methyl 2-chlorothiazole-4-carboxylate, AldrichCPR
    • PZLJTHDJLAXFAW-UHFFFAOYSA-N
    • A10194
    • SCHEMBL780372
    • AB26609
    • 850429-61-7
    • MFCD06659909
    • SY007664
    • CS-0150759
    • Methyl2-Chloro-4-Thiazolecarboxylate
    • AKOS006343484
    • J-522003
    • DTXSID60428423
    • EN300-316380
    • FS-3109
    • MDL： MFCD06659909
    • Inchi： 1S/C5H4ClNO2S/c1-9-4(8)3-2-10-5(6)7-3/h2H,1H3
    • InChI Key： PZLJTHDJLAXFAW-UHFFFAOYSA-N
    • SMILES： O=C(C1=CSC(Cl)=N1)OC

Computed Properties

  • Exact Mass: 176.96500
  • Monoisotopic Mass: 176.965
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 144
  • 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: 67.4A^2
  • XLogP3: 2.1

Experimental Properties

  • Color/Form: Solid
  • Density: 1.456
  • Melting Point: 90-94°C
  • Boiling Point: 271.2℃ at 760 mmHg
  • Flash Point: 117.8°C
  • Refractive Index: 1.559
  • PSA: 67.43000
  • LogP: 1.58310

methyl 2-chloro-1,3-thiazole-4-carboxylate Security Information

methyl 2-chloro-1,3-thiazole-4-carboxylate Customs Data

  • HS CODE：2934100090
  • Customs Data：

    China Customs Code:

    2934100090

    Overview:

    2934100090. Compounds that structurally contain a non fused thiazole ring(Whether hydrogenated or not). VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

methyl 2-chloro-1,3-thiazole-4-carboxylate Pricemore >>

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