Cas no 100047-54-9 (Methyl 5-methylisoxazole-4-carboxylate)

Methyl 5-methylisoxazole-4-carboxylate structure
100047-54-9 structure
Product Name:Methyl 5-methylisoxazole-4-carboxylate
CAS No:100047-54-9
MF:C6H7NO3
MW:141.124681711197
MDL:MFCD09756501
CID:136248
PubChem ID:22309104
Update Time:2025-04-19

Methyl 5-methylisoxazole-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 5-methylisoxazole-4-carboxylate
    • 4-Isoxazolecarboxylicacid, 5-methyl-, methyl ester
    • methyl 5-methyl-1,2-oxazole-4-carboxylate
    • 4-(Methoxycarbonyl)-5-methylisoxazole
    • 5-Methyl-isoxazol-carbonsaeure-(4)-methylester
    • 5-methyl-isoxazole 4-carboxylic acid methyl ester
    • EN300-59724
    • TS-01835
    • Z231867432
    • 4-Isoxazolecarboxylic acid, 5-methyl-, methyl ester
    • SCHEMBL13815776
    • 4-Isoxazolecarboxylicacid,5-methyl-,methylester(6CI,9CI)
    • methyl5-methylisoxazole-4-carboxylate
    • 4-Isoxazolecarboxylicacid,5-methyl-,methyl ester
    • DTXSID70624550
    • MFCD09756501
    • AKOS009116956
    • 100047-54-9
    • G30744
    • MDL: MFCD09756501
    • Inchi: 1S/C6H7NO3/c1-4-5(3-7-10-4)6(8)9-2/h3H,1-2H3
    • InChI Key: AHLBUWIGURZNRZ-UHFFFAOYSA-N
    • SMILES: O1C(C)=C(C(=O)OC)C=N1

Computed Properties

  • Exact Mass: 141.04300
  • Monoisotopic Mass: 141.043
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 137
  • 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: 52.3A^2
  • XLogP3: 0.6

Experimental Properties

  • Density: 1.18
  • Boiling Point: 211.94°C at 760 mmHg
  • Flash Point: 81.978°C
  • Refractive Index: 1.468
  • PSA: 52.33000
  • LogP: 0.76960

Methyl 5-methylisoxazole-4-carboxylate Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. 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

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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