2-Chloro-4-(trifluoromethyl)pyrimidine

Base Information

• Chemical Name: 2-Chloro-4-(trifluoromethyl)pyrimidine
• CAS No.: 33034-67-2
• Molecular Formula: C5H2ClF3N2
• Molecular Weight: 182.532
• Hs Code.: 29335990
• European Community (EC) Number: 628-303-9
• DSSTox Substance ID: DTXSID60378772
• Nikkaji Number: J2.328.484G
• Wikidata: Q72460477
• Mol file: 33034-67-2.mol

Synonyms:2-Chloro-4-(trifluoromethyl)pyrimidine;33034-67-2;PYRIMIDINE, 2-CHLORO-4-(TRIFLUOROMETHYL)-;2-chloro-4-trifluoromethylpyrimidine;MFCD00115111;2-chloro-4-trifluoromethyl pyrimidine;2-Chloro-4-trifluoromethyl-pyrimidine;SCHEMBL17959;DTXSID60378772;2-chloro-4-trifluoromethylpyrimidin;4-Trifluoromethyl-2-chloropyrimidine;2-chlor-4-trifluoromethyl-pyrimidine;2-chloro-4-trifluromethyl-pyrimidine;BBL103675;STL557485;AKOS001428771;AB03473;CS-W008937;PS-8522;2-chloro-4-(trifluoromethyl)-pyrimidine;AC-24523;A5901;AM20090497;C2467;FT-0611744;2-Chloro-4-(trifluoromethyl)pyrimidine, 99%;EN300-28874;W-202356;F1905-7191;Z278081492

Chemical Property of 2-Chloro-4-(trifluoromethyl)pyrimidine

Chemical Property:

• Appearance/Colour: Colourless Liquid
• Vapor Pressure: 0.154mmHg at 25°C
• Refractive Index: n20/D 1.447(lit.)
• Boiling Point: 222.1 °C at 760 mmHg
• PKA: -3.98±0.20(Predicted)
• Flash Point: 88.1 °C
• PSA: 25.78000
• Density: 1.504 g/cm³
• LogP: 2.14880
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 181.9858603
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

99% ^*data from raw suppliers

2-Chloro-4-(trifluoromethyl)pyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F, Xi
• Hazard Codes: Xi,F
• Statements: 10-36/37/38
• Safety Statements: 16-26-36-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=C(N=C1C(F)(F)F)Cl
• Uses: 2-Chloro-4-(trifluoromethyl)pyrimidine may be used to investigate the effect of chemical substitutions on the interfacial interactions of pyrimidines with the phospholipid-mimic immobilized-artificial-membrane (IAM) chromatographic stationary phase. Monocyclic pyrimidine nucleic acid bases (nucleobases) were reported to behave differently from their bicyclic purine analogs.