Cas no 16097-63-5 (4-Chloro-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine)

4-Chloro-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine is a halogenated pyrimidine derivative featuring a chloro substituent at the 4-position and a trifluoromethyl group at the 6-position, along with a methylsulfanyl moiety at the 2-position. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of agrochemicals and pharmaceuticals. The presence of the trifluoromethyl group enhances its lipophilicity and metabolic stability, while the reactive chloro and methylsulfanyl groups facilitate further functionalization. Its structural features make it valuable for constructing heterocyclic frameworks with potential biological activity. The compound is typically handled under controlled conditions due to its reactivity.
4-Chloro-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine structure
16097-63-5 structure
Product Name:4-Chloro-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine
CAS No:16097-63-5
MF:C6H4ClF3N2S
MW:228.622569084167
MDL:MFCD00269080
CID:166095
PubChem ID:248063
Update Time:2025-06-06

4-Chloro-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine Chemical and Physical Properties

Names and Identifiers

    • 4-Chloro-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine
    • 4-Chloro-2-(methylsulfanyl)-6-(trifluoromethyl)-pyrimidine
    • 4-Chloro-2-(methylthio)-6-(trifluoromethyl)pyrimidine
    • 4-CHLORO-6,7-DIMETHOXYQUINOLINE
    • C6H4ClF3N2S
    • Pyrimidine,4-chloro-2-(methylthio)-6-(trifluoromethyl)-
    • 4-chloro-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine
    • NSC 64344
    • MDL： MFCD00269080
    • Inchi： 1S/C6H4ClF3N2S/c1-13-5-11-3(6(8,9)10)2-4(7)12-5/h2H,1H3
    • InChI Key： GOORQLLDZBAQIW-UHFFFAOYSA-N
    • SMILES： ClC1=CC(C(F)(F)F)=NC(=N1)SC

Computed Properties

  • Exact Mass: 227.97400
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 178
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.9

Experimental Properties

  • Density: 1.52±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 38-39 oC (ethyl acetate ligroine )
  • Boiling Point: 83.5 oC (9.3 Torr)
  • Flash Point: 97.6±25.9 oC,
  • Refractive Index: 1.5050 (25 oC)
  • Solubility: Very slightly soluble (0.15 g/l) (25 o C),
  • PSA: 51.08000
  • LogP: 2.87070
  • Sensitiveness: Stench

4-Chloro-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine Security Information

4-Chloro-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine 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%

4-Chloro-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine Pricemore >>

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