2,2,3,3-tetrafluorocyclobutan-1-ol

• ChemBase ID: 302564
• Molecular Formular: C4H4F4O
• Molecular Mass: 144.0675728
• Monoisotopic Mass: 144.01982763
• SMILES: C1C(C(C1(F)F)(F)F)O
• Canonical SMILES: OC1CC(C1(F)F)(F)F
• InChI: InChI=1S/C4H4F4O/c5-3(6)1-2(9)4(3,7)8/h2,9H,1H2
• InChIKey: FNENUTDUAXPVTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3,3-tetrafluorocyclobutan-1-ol
• IUPAC Traditional name: 2,2,3,3-tetrafluorocyclobutan-1-ol
• Synonyms: 2,2,3,3-Tetrafluorocyclobutanol; 2,2,3,3-四氟环丁醇

Database IDs

• CAS Number: 374-32-3
• MDL Number: MFCD00190085
• Beilstein Number: 2429286

CALCULATED PROPERTIES

• Acid pKa: 12.289218
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.0412536
• LogD (pH = 7.4): 1.041248
• Log P: 1.0412536
• Molar Refractivity: 19.7503 cm^3
• Polarizability: 7.8378625 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 155-157°C
• Flash Point: 44°C(111°F)
• Density: 1.414
• Refractive Index: 1.3680

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: UN1987
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 10-36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 95%