[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]methanol

• ChemBase ID: 142209
• Molecular Formular: C17H11F17O
• Molecular Mass: 554.2414944
• Monoisotopic Mass: 554.05384471
• SMILES: c1cc(ccc1CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CO
• Canonical SMILES: OCc1ccc(cc1)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C17H11F17O/c18-10(19,6-5-8-1-3-9(7-35)4-2-8)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)34/h1-4,35H,5-7H2
• InChIKey: CQOQAOKSHAECHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]methanol
• IUPAC Traditional name: [4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]methanol
• Synonyms: 4-(1H,1H,2H,2H-Perfluorodecyl)benzyl alcohol; 4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl)benzyl alcohol; 4-(1H,1H,2H,2H-全氟癸基)苄醇; 4-十七氟癸基苄醇

Database IDs

• CAS Number: 356055-77-1
• MDL Number: MFCD03788346
• PubChem SID: 24851702; 162236439
• PubChem CID: 16211438

CALCULATED PROPERTIES

• Acid pKa: 15.050114
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 7.492772
• LogD (pH = 7.4): 7.492772
• Log P: 7.492772
• Molar Refractivity: 80.99 cm^3
• Polarizability: 29.957846 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 81-85 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥97%
• Empirical Formula (Hill Notation): C17H11F17O

DETAILS

Sigma Aldrich - 19563

Packaging
1, 5 g in poly bottle
Legal Information
Product of Fluorous Technologies, Inc.