Cas no 871251-66-0 (5-Pyrimidinecarboxylic acid, 2-[4-(trifluoromethyl)phenyl]-, methyl ester)

5-Pyrimidinecarboxylic acid, 2-[4-(trifluoromethyl)phenyl]-, methyl ester structure
871251-66-0 structure
Product Name:5-Pyrimidinecarboxylic acid, 2-[4-(trifluoromethyl)phenyl]-, methyl ester
CAS No:871251-66-0
MF:C13H9F3N2O2
MW:282.217973470688
CID:822628
PubChem ID:53438338
Update Time:2025-04-19

5-Pyrimidinecarboxylic acid, 2-[4-(trifluoromethyl)phenyl]-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • 5-Pyrimidinecarboxylic acid, 2-[4-(trifluoromethyl)phenyl]-, methyl ester
    • 2-(4-TRIFLUOROMETHYL-PHENYL)-PYRIMIDINE-5-CARBOXYLIC ACID METHYL ESTER
    • 2-[4-(trifluoromethyl)phenyl]-5-pyrimidinecarboxylic acid methyl ester
    • methyl 2-(4-(trifluoromethyl)phenyl)pyrimidine-5-carboxylate
    • methyl 2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxylate
    • C13H9F3N2O2
    • A841975
    • 871251-66-0
    • FT-0703814
    • AKOS025149710
    • DTXSID90701256
    • SCHEMBL2273492
    • Inchi： 1S/C13H9F3N2O2/c1-20-12(19)9-6-17-11(18-7-9)8-2-4-10(5-3-8)13(14,15)16/h2-7H,1H3
    • InChI Key： PQKZJOYIWRKRQF-UHFFFAOYSA-N
    • SMILES： FC(C1C=CC(C2N=CC(C(=O)OC)=CN=2)=CC=1)(F)F

Computed Properties

  • Exact Mass: 282.06200
  • Monoisotopic Mass: 282.06161202g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • Complexity: 333
  • 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: 2.6
  • Topological Polar Surface Area: 52.1?2

Experimental Properties

  • Density: 1.327
  • Boiling Point: 288℃
  • Flash Point: 128℃
  • PSA: 52.08000
  • LogP: 2.94900

5-Pyrimidinecarboxylic acid, 2-[4-(trifluoromethyl)phenyl]-, methyl 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%

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