4-Fluoropyrimidine

Base Information

• Chemical Name: 4-Fluoropyrimidine
• CAS No.: 31462-55-2
• Molecular Formula: C4H3FN2
• Molecular Weight: 98.03
• DSSTox Substance ID: DTXSID90598921
• Nikkaji Number: J594.933E
• Wikidata: Q82494735
• Mol file: 31462-55-2.mol

Synonyms:4-FLUOROPYRIMIDINE;31462-55-2;6-fluoropyrimidine;Pyrimidine, 4-fluoro- (8CI,9CI);DTXSID90598921;MFCD16294306;SB55534;DB-068468;E86814

Chemical Property of 4-Fluoropyrimidine

Chemical Property:

• Vapor Pressure: 12.651mmHg at 25°C
• Refractive Index: 1.472
• Boiling Point: 128.988 °C at 760 mmHg
• PKA: 0.48±0.10(Predicted)
• Flash Point: 31.811 °C
• PSA: 15.79000
• Density: 1.225 g/cm³
• LogP: 2.30700
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 98.02802627
• Heavy Atom Count: 7
• Complexity: 57.7

Purity/Quality:

97% ^*data from raw suppliers

4-FLUOROPYRIMIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CN=C1F
• Uses: 4-Fluoro-pyrimidine can be used as m1 receptor positive allosteric modulators.