5-fluoro-2,4-bis[(trimethylsilyl)oxy]pyrimidine

• ChemBase ID: 94117
• Molecular Formular: C10H19FN2O2Si2
• Molecular Mass: 274.4394632
• Monoisotopic Mass: 274.09690914
• SMILES: n1c(c(cnc1O[Si](C)(C)C)F)O[Si](C)(C)C
• Canonical SMILES: Fc1cnc(nc1O[Si](C)(C)C)O[Si](C)(C)C
• InChI: InChI=1S/C10H19FN2O2Si2/c1-16(2,3)14-9-8(11)7-12-10(13-9)15-17(4,5)6/h7H,1-6H3
• InChIKey: MPVQFVDWJDULDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-2,4-bis[(trimethylsilyl)oxy]pyrimidine
• IUPAC Traditional name: 5-fluoro-2,4-bis[(trimethylsilyl)oxy]pyrimidine
• Synonyms: 2,4-Bis(trimethylsilyl)-5-fluorouracil 97%; 2,4-Bis(trimethylsiloxy)-5-fluoropyrimidine; O,O'-Bis(trimethylsilyl)-5-fluorouracil; O,O'-双(三甲基硅烷)-5-氟尿嘧啶

Database IDs

• CAS Number: 17242-85-2
• EC Number: 000-000-0
• MDL Number: MFCD00042441
• Beilstein Number: 885268
• PubChem SID: 162080772
• PubChem CID: 140203

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.8419728
• LogD (pH = 7.4): 3.8419998
• Log P: 3.842
• Molar Refractivity: 59.4118 cm^3
• Polarizability: 26.582893 Å^3
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 114°C/14mm; 114°C/14mm
• Flash Point: 32°C; 32°C(89°F)
• Density: 1.05; 1.050
• Refractive Index: 1.459; 1.4590

Safety Information

• Storage Warning: Flammable; Moisture Sensitive
• European Hazard Symbols: X
• UN Number: UN1992
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 10-20/21/22-68
• Safety Statements: 23-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS06; GHS08
• GHS Hazard statements: H331-H302-H312-H226-H341
• GHS Precautionary statements: P210-P241-P303+P361+P353-P302+P352-P405-P501A

Product Information

• Purity: 97%