tris(hexafluoroprop-1-ene)

• ChemBase ID: 97574
• Molecular Formular: C9F18
• Molecular Mass: 450.0675576
• Monoisotopic Mass: 449.97125796
• SMILES: FC(C(=C(F)F)F)(F)F.FC(C(=C(F)F)F)(F)F.FC(C(=C(F)F)F)(F)F
• Canonical SMILES: FC(=C(C(F)(F)F)F)F.FC(=C(C(F)(F)F)F)F.FC(=C(C(F)(F)F)F)F
• InChI: InChI=1S/3C3F6/c3*4-1(2(5)6)3(7,8)9
• InChIKey: VJRSWIKVCUMTFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(hexafluoroprop-1-ene)
• IUPAC Traditional name: tris(hexafluoropropylene)
• Synonyms: Hexafluoropropene, trimer; Hexafluoropropene trimer 97%; 六氟丙烯三聚体

Database IDs

• CAS Number: 6792-31-0
• MDL Number: MFCD00043821
• PubChem SID: 162084174; 24863138
• PubChem CID: 16212380

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.8124412
• LogD (pH = 7.4): 1.8124412
• Log P: 1.8124412
• Molar Refractivity: 27.8392 cm^3
• Polarizability: 6.0836596 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 110-115 °C(lit.); 110-115°C
• Flash Point: 24 °C; 75.2 °F; none°C
• Density: 1.83; 1.83 g/mL at 25 °C(lit.)

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Harmful (Xn)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-20/21/22-36/37/38
• Safety Statements: 16-26-36/37/39
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Linear Formula: [CF3C(F)=CF2]3

DETAILS

Apollo Scientific Ltd - PC4792

Mixture of perfluoro-2,3,5-trimethylhexene-3,perfluoro-2,3,5-trimethylhexene-2 & perfluoro-2,4,5-trimethylhexene-2

Sigma Aldrich - 371963

Packaging
25 g in glass bottle