Cas no 116470-67-8 (2-(Trifluoromethyl)pyrimidine)

2-(Trifluoromethyl)pyrimidine structure
2-(Trifluoromethyl)pyrimidine structure
Product Name:2-(Trifluoromethyl)pyrimidine
CAS No:116470-67-8
MF:C5H3F3N2
MW:148.085931062698
MDL:MFCD10698646
CID:63229
PubChem ID:14007756
Update Time:2025-04-18

2-(Trifluoromethyl)pyrimidine Chemical and Physical Properties

Names and Identifiers

    • 2-(Trifluoromethyl)pyrimidine
    • 2-Trifluoromethyl pyrimidine
    • Pyrimidine, 2-(trifluoromethyl)- (9CI)
    • 2-Trifluormethyl-pyrimidin
    • BS-42676
    • 2-Trifluoromethylpyrimidine
    • FT-0645751
    • BQDJLAWUTBCDHK-UHFFFAOYSA-P
    • Pyrimidine, 2-(trifluoromethyl)-
    • MFCD10698646
    • SCHEMBL1491767
    • W-200899
    • 116470-67-8
    • AMY155
    • CS-0196525
    • AKOS006304393
    • DTXSID60554190
    • F15716
    • trifluoromethylpyrimidine
    • (trifluoromethyl)pyrimidine
    • F2147-1016
    • EN300-237644
    • 2-Trifluoromethyl-pyrimidine
    • SB57368
    • DTXCID60504973
    • MDL： MFCD10698646
    • Inchi： 1S/C5H3F3N2/c6-5(7,8)4-9-2-1-3-10-4/h1-3H
    • InChI Key： BQDJLAWUTBCDHK-UHFFFAOYSA-N
    • SMILES： FC(C1N=CC=CN=1)(F)F

Computed Properties

  • Exact Mass: 148.02500
  • Monoisotopic Mass: 148.02483259g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 106
  • 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: 1.1
  • Topological Polar Surface Area: 25.8?2

Experimental Properties

  • Color/Form: No data avaiable
  • Density: No data available
  • Melting Point: No data available
  • Boiling Point: No data available
  • Flash Point: No data available
  • PSA: 25.78000
  • LogP: 1.49540
  • Vapor Pressure: No data available

2-(Trifluoromethyl)pyrimidine Security Information

2-(Trifluoromethyl)pyrimidine Pricemore >>

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SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
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SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
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 116470-67-8 -
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2-(Trifluoromethyl)pyrimidine Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Acetonitrile ,  Water ;  16 h, pH 9.5, rt → 45 °C
1.2 Reagents: Sodium chloride Solvents: Ethanol ;  overnight, -20 °C
1.3 Reagents: Cesium hydroxide Catalysts: Palladate(1-), [2′-(amino-κN)[1,1′-biphenyl]-2-yl-κC]chloro[2′-(dicyclohexylphos… Solvents: 1-Methoxy-2-propanol ,  Water ;  15 h, 80 °C
Reference
Palladium-Catalyzed Hydroxycarbonylation of (Hetero)aryl Halides for DNA-Encoded Chemical Library Synthesis
Li, Jian-Yuan; et al, Bioconjugate Chemistry, 2019, 30(8), 2209-2215

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