2,3,3,3-tetrafluoro-2-{1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propoxy}propanoyl fluoride

• ChemBase ID: 6664
• Molecular Formular: C12F24O4
• Molecular Mass: 664.0876768
• Monoisotopic Mass: 663.94133576
• SMILES: O=C(C(OC(C(OC(C(OC(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)F
• Canonical SMILES: FC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)(F)F)F
• InChI: InChI=1S/C12F24O4/c13-1(37)2(14,6(19,20)21)38-11(33,34)4(17,8(25,26)27)40-12(35,36)5(18,9(28,29)30)39-10(31,32)3(15,16)7(22,23)24
• InChIKey: IIYQDKPSLAINNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,3,3-tetrafluoro-2-{1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propoxy}propanoyl fluoride
• IUPAC Traditional name: 2,3,3,3-tetrafluoro-2-{1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propoxy}propanoyl fluoride
• Synonyms: Perfluoro-2,5,8-trimethyl-3,6,9-trioxadodecanoyl fluoride; Perfluoro(2,5,8-trimethyl-3,6,9-trioxadodecanoyl)fluoride 97%; HFPO tetramer acid fluoride; Perfluoro-2,5,8-trimethyl-3,6,9-trioxadodecanoyl fluoride; 全氟-2,5,8-三甲基-3,6,9-三氧杂十二酰氟

Database IDs

• CAS Number: 27639-98-1
• MDL Number: MFCD00084743
• PubChem SID: 160969971
• PubChem CID: 119616

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 9.015386
• LogD (pH = 7.4): 9.015386
• Log P: 9.015386
• Molar Refractivity: 67.9913 cm^3
• Polarizability: 26.406822 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 158-161°C; 158-161°C
• Flash Point: None; none°C
• Density: 1.8; 1.80
• Refractive Index: 1.3000

Safety Information

• Storage Warning: CORROSIVE; Corrosive; Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3265
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 34
• Safety Statements: 20-23-26-45-36/37/39-45-60
• TSCA Listed: true; 是
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 97%