Cas no 100724-16-1 (5-Pyrimidinecarboxylicacid, 4-phenyl-, ethyl ester)

5-Pyrimidinecarboxylicacid, 4-phenyl-, ethyl ester structure
100724-16-1 structure
Product Name:5-Pyrimidinecarboxylicacid, 4-phenyl-, ethyl ester
CAS No:100724-16-1
MF:C13H12N2O2
MW:228.246582984924
CID:124204
PubChem ID:23326135
Update Time:2025-04-18

5-Pyrimidinecarboxylicacid, 4-phenyl-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • 5-Pyrimidinecarboxylicacid, 4-phenyl-, ethyl ester
    • (4-ethylphenyl) pyrimidine-5-carboxylate
    • ethyl 4-phenylpyrimidine-5-carboxylate
    • ETHYL-4-PHENYL PYRIMIDINE-5-CARBOXYLATE
    • 4-Phenyl-5-ethoxycarbonyl-pyrimidin
    • 4-phenyl-pyrimidine-5-carboxylic acid ethyl ester
    • 4-Phenyl-5-pyrimidinecarboxylic acid ethyl ester
    • 4-phenyl-5-ethoxycarbonylpyrimidine
    • HENFGBQLRJLYFL-UHFFFAOYSA-N
    • SCHEMBL1969795
    • 100724-16-1
    • Inchi： 1S/C13H12N2O2/c1-2-17-13(16)11-8-14-9-15-12(11)10-6-4-3-5-7-10/h3-9H,2H2,1H3
    • InChI Key： HENFGBQLRJLYFL-UHFFFAOYSA-N
    • SMILES： O(CC)C(C1=CN=CN=C1C1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 228.09000
  • Monoisotopic Mass: 228.09
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 252
  • 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: 52.1A^2
  • XLogP3: 2.1

Experimental Properties

  • Density: 1.167
  • Melting Point: 159-161 oC
  • Boiling Point: 393.2°Cat760mmHg
  • Flash Point: 191.6°C
  • Refractive Index: 1.562
  • PSA: 52.08000
  • LogP: 2.32030

5-Pyrimidinecarboxylicacid, 4-phenyl-, ethyl ester 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%

5-Pyrimidinecarboxylicacid, 4-phenyl-, ethyl ester Related Literature

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