tetrafluoropyrimidine

• ChemBase ID: 28674
• Molecular Formular: C4F4N2
• Molecular Mass: 152.0498128
• Monoisotopic Mass: 151.99976089
• SMILES: c1(nc(c(c(n1)F)F)F)F
• Canonical SMILES: Fc1nc(F)c(c(n1)F)F
• InChI: InChI=1S/C4F4N2/c5-1-2(6)9-4(8)10-3(1)7
• InChIKey: KZMWBUVUQLGBBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrafluoropyrimidine
• IUPAC Traditional name: tetrafluoropyrimidine
• Synonyms: 2,4,5,6-Tetrafluoropyrimidine; 2,4,5,6-Tetrafluoropyrimidine; 2,4,5,6-四氟嘧啶

Database IDs

• CAS Number: 767-79-3
• MDL Number: MFCD10687402
• PubChem SID: 160991981
• PubChem CID: 136605

CALCULATED PROPERTIES

• Polarizability: 8.218063 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8866637
• LogD (pH = 7.4): 1.8866637
• Log P: 1.8866637
• Molar Refractivity: 26.2645 cm^3

PROPERTIES

Physical Property

• Boiling Point: 83°C

Safety Information

• Storage Warning: Corrosive; IRRITANT
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3265
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P280-P303+P361+P353-P305+P351+P338-P310

Product Information

• Purity: 95%