2,4,4,5,7,7,8,10,10,11,13,13,14,14,15,15,15-heptadecafluoro-2,5,8,11-tetrakis(trifluoromethyl)-3,6,9,12-tetraoxapentadecanoyl fluoride

• ChemBase ID: 6662
• Molecular Formular: C15F30O5
• Molecular Mass: 830.109596
• Monoisotopic Mass: 829.9266697
• SMILES: O=C(C(OC(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)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)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F
• InChI: InChI=1S/C15F30O5/c16-1(46)2(17,7(23,24)25)47-13(40,41)4(20,9(29,30)31)49-15(44,45)6(22,11(35,36)37)50-14(42,43)5(21,10(32,33)34)48-12(38,39)3(18,19)8(26,27)28
• InChIKey: QDHLRGOEEBWEIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4,4,5,7,7,8,10,10,11,13,13,14,14,15,15,15-heptadecafluoro-2,5,8,11-tetrakis(trifluoromethyl)-3,6,9,12-tetraoxapentadecanoyl fluoride
• IUPAC Traditional name: 2,4,4,5,7,7,8,10,10,11,13,13,14,14,15,15,15-heptadecafluoro-2,5,8,11-tetrakis(trifluoromethyl)-3,6,9,12-tetraoxapentadecanoyl fluoride
• Synonyms: Perfluoro-2,5,8,11-tetramethyl-3,6,9,12-tetraoxapentadecanoyl fluoride; Perfluoro-2,5,8,11-tetramethyl-3,6,9,12-tetraoxapentadecanoyl fluoride 97%; HFPO pentamer acid fluoride; Perfluoro-2,5,8,11-tetramethyl-3,6,9,12-tetraoxapentadecanoyl fluoride; 全氟-2,5,8,11-四甲基-3,6,9,12-四氧杂十五酰氟

Database IDs

• CAS Number: 34761-47-2
• MDL Number: MFCD00054660
• PubChem SID: 160969969
• PubChem CID: 118188

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 11.40206
• LogD (pH = 7.4): 11.40206
• Log P: 11.40206
• Molar Refractivity: 84.8066 cm^3
• Polarizability: 32.989853 Å^3
• Polar Surface Area: 53.99 Å^2
• Rotatable Bonds: 18
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 200-203°C; 200-203°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: 23-26-36/37/39-45
• 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%

DETAILS

Apollo Scientific Ltd - PC6219E

Balance other HFPO oligomer acid fluorides