5-Bromo-4-(trifluoromethyl)pyrimidine

Base Information

• Chemical Name: 5-Bromo-4-(trifluoromethyl)pyrimidine
• CAS No.: 785777-88-0
• Molecular Formula: C5H2BrF3N2
• Molecular Weight: 226.9819896
• Hs Code.: 29335990
• DSSTox Substance ID: DTXSID60457278
• Nikkaji Number: J2.123.928C
• Wikidata: Q82280064
• Mol file: 785777-88-0.mol

Synonyms:5-bromo-4-(trifluoromethyl)pyrimidine;785777-88-0;Pyrimidine, 5-bromo-4-(trifluoromethyl)-;MFCD11046325;ZLD0246;5-Bromo-4-trifluoromethyl-pyrimidine;SCHEMBL359312;DTXSID60457278;XQBMNXRFVINPTJ-UHFFFAOYSA-N;4-(Trifluoromethyl)-5-bromopyrimidine;AKOS016000192;CS-W019328;SB13965;AC-29636;DS-11606;SY031921;FT-0717692;A853896

Chemical Property of 5-Bromo-4-(trifluoromethyl)pyrimidine

Chemical Property:

• Vapor Pressure: 0.43mmHg at 25°C
• Melting Point: -4--2 °C
• Refractive Index: 1.471
• Boiling Point: 201.7 °C at 760 mmHg
• PKA: -2.56±0.16(Predicted)
• Flash Point: 75.8 °C
• PSA: 25.78000
• Density: 1.807 g/cm³
• LogP: 2.25790
• Storage Temp.: 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 225.93535
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

98%min ^*data from raw suppliers

5-Bromo-4-(trifluoromethyl)pyrimidine ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=NC=N1)C(F)(F)F)Br
• Uses: 5-Bromo-4-(trifluoromethyl)pyrimidine is a reagent used in the preparation of versatile intermediates for organic and pharmaceutical chemistry.