Cas no 958452-21-6 (4-Chloro-5-(trifluoromethyl)pyrimidine)

4-Chloro-5-(trifluoromethyl)pyrimidine structure
958452-21-6 structure
Product Name:4-Chloro-5-(trifluoromethyl)pyrimidine
CAS No:958452-21-6
MF:C5H2ClF3N2
MW:182.530990123749
CID:4723294
PubChem ID:54052695
Update Time:2024-10-25

4-Chloro-5-(trifluoromethyl)pyrimidine Chemical and Physical Properties

Names and Identifiers

    • 4-chloro-5-(trifluoromethyl)pyrimidine
    • Pyrimidine, 4-chloro-5-(trifluoromethyl)-
    • 4-Chloro-5-(trifluoromethyl)pyrimidine (ACI)
    • MDNYDIHNUDMMST-UHFFFAOYSA-N
    • SCHEMBL1374977
    • SB57604
    • F53370
    • 958452-21-6
    • 4-Chloro-5-(trifluoromethyl)pyrimidine
    • Inchi: 1S/C5H2ClF3N2/c6-4-3(5(7,8)9)1-10-2-11-4/h1-2H
    • InChI Key: MDNYDIHNUDMMST-UHFFFAOYSA-N
    • SMILES: ClC1C(=CN=CN=1)C(F)(F)F

Computed Properties

  • Exact Mass: 181.9858603g/mol
  • Monoisotopic Mass: 181.9858603g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 138
  • 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: 25.8
  • XLogP3: 2

4-Chloro-5-(trifluoromethyl)pyrimidine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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958452-21-6 98%
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NAN JING YAO SHI KE JI GU FEN Co., Ltd.
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4-Chloro-5-(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; Miklossy, Gabriella; Modukuri, Ram K.; Bohren, Kurt M.; Yu, Zhifeng; et al, Bioconjugate Chemistry, 2019, 30(8), 2209-2215

4-Chloro-5-(trifluoromethyl)pyrimidine Raw materials

4-Chloro-5-(trifluoromethyl)pyrimidine Preparation Products

4-Chloro-5-(trifluoromethyl)pyrimidine Related Literature

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