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

• ChemBase ID: 140549
• Molecular Formular: C29H19F17O
• Molecular Mass: 706.4334144
• Monoisotopic Mass: 706.11644497
• SMILES: c1ccc(cc1)C(c1ccccc1)(c1ccc(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)O
• Canonical SMILES: FC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CCc1ccc(cc1)C(c1ccccc1)(c1ccccc1)O)F
• InChI: InChI=1S/C29H19F17O/c30-21(31,23(32,33)24(34,35)25(36,37)26(38,39)27(40,41)28(42,43)29(44,45)46)16-15-17-11-13-20(14-12-17)22(47,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,47H,15-16H2
• InChIKey: ONXVYKQEANDRAX-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]diphenylmethanol
• IUPAC Traditional name: [4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]diphenylmethanol
• Synonyms: F17 Trityl OH; 1-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluordecyl)-phenyl]-1,1-diphenylmethanol; 1-[4-(1H,1H,2H,2H-Perfluorodecyl)phenyl)-1,1-diphenylmethanol; 1-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-十七氟癸基)-苯基]-1,1-二苯基甲醇; 1-[4-(1H,1H,2H,2H-全氟癸基)苯基)-1,1-二苯基甲醇

Database IDs

• CAS Number: 649561-66-0
• MDL Number: MFCD09750443
• PubChem SID: 24885118; 162234793
• PubChem CID: 16218249

CALCULATED PROPERTIES

• Acid pKa: 12.756282
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 10.925254
• LogD (pH = 7.4): 10.925252
• Log P: 10.925254
• Molar Refractivity: 131.4276 cm^3
• Polarizability: 47.647766 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 76-80 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 38
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98% (HPLC)
• Empirical Formula (Hill Notation): C29H19F17O

DETAILS

Sigma Aldrich - 672475

Packaging
1 g in poly bottle
Legal Information
Product of Fluorous Technologies, Inc. Use of this compound may be protected by U.S. patents 6,156,896; 5,859,247; 5,777,121 and 6,673,539.