dotetracontafluoroicosane

• ChemBase ID: 7895
• Molecular Formular: C20F42
• Molecular Mass: 1038.1469344
• Monoisotopic Mass: 1037.93293524
• SMILES: C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(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
• Canonical SMILES: FC(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)(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
• InChI: InChI=1S/C20F42/c21-1(22,3(25,26)5(29,30)7(33,34)9(37,38)11(41,42)13(45,46)15(49,50)17(53,54)19(57,58)59)2(23,24)4(27,28)6(31,32)8(35,36)10(39,40)12(43,44)14(47,48)16(51,52)18(55,56)20(60,61)62
• InChIKey: WSXNCJNDCDTRSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dotetracontafluoroicosane
• IUPAC Traditional name: dotetracontafluoroicosane
• Synonyms: Perfluoroeicosane; Perfluoroeicosane 97%; Perfluoroeicosane; 全氟二十碳烷

Database IDs

• CAS Number: 37589-57-4
• EC Number: 253-557-9
• MDL Number: MFCD00000438
• PubChem SID: 24856295; 160971202
• PubChem CID: 520855

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 14.693286
• LogD (pH = 7.4): 14.693286
• Log P: 14.693286
• Molar Refractivity: 96.8932 cm^3
• Polarizability: 39.310368 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 19
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 160-163°C; 162-165°C; 162-165°C; 164-166 °C(lit.)
• Boiling Point: 320°C
• Flash Point: none°C

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• TSCA Listed: false; 否
• 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%
• Linear Formula: CF3(CF2)18CF3

DETAILS

Apollo Scientific Ltd - PC6004

Mass spectrometry standard

Sigma Aldrich - 268828

Application
Mass spectrum standard.
Packaging
250 mg in glass bottle