pentacontafluorotetracosane

• ChemBase ID: 150567
• Molecular Formular: C24F50
• Molecular Mass: 1238.17696
• Monoisotopic Mass: 1237.920161
• SMILES: C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C24F50/c25-1(26,3(29,30)5(33,34)7(37,38)9(41,42)11(45,46)13(49,50)15(53,54)17(57,58)19(61,62)21(65,66)23(69,70)71)2(27,28)4(31,32)6(35,36)8(39,40)10(43,44)12(47,48)14(51,52)16(55,56)18(59,60)20(63,64)22(67,68)24(72,73)74
• InChIKey: AXFFGMPNSZVEDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pentacontafluorotetracosane
• IUPAC Traditional name: perfluorotetracosane
• Synonyms: Perfluorotetracosane; 全氟二十四烷

Database IDs

• CAS Number: 1766-41-2
• MDL Number: MFCD00009915
• Beilstein Number: 5474566
• PubChem SID: 24856296; 162244728; 24887181
• PubChem CID: 2776369

CALCULATED PROPERTIES

• Log P: 17.495857
• Molar Refractivity: 115.5652 cm^3
• Polarizability: 46.982887 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 23
• Lipinski's Rule of Five: false
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 17.495857
• LogD (pH = 7.4): 17.495857

PROPERTIES

Physical Property

• Melting Point: 188-190 °C; 188-190 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• 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

• Grade: analytical standard, for mass spectrometry
• Linear Formula: CF3(CF2)22CF3

DETAILS

Sigma Aldrich - 268836

Application
Mass spectrum standard.
Packaging
1 g in glass bottle