5-[2-(1,3-dioxo-1,3-dihydro-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dihydro-2-benzofuran-1,3-dione

• ChemBase ID: 7775
• Molecular Formular: C19H6F6O6
• Molecular Mass: 444.2377592
• Monoisotopic Mass: 444.00685723
• SMILES: C(C(C(F)(F)F)(c1cc2c(cc1)C(=O)OC2=O)c1cc2c(cc1)C(=O)OC2=O)(F)(F)F
• Canonical SMILES: O=C1OC(=O)c2c1cc(cc2)C(C(F)(F)F)(C(F)(F)F)c1ccc2c(c1)C(=O)OC2=O
• InChI: InChI=1S/C19H6F6O6/c20-18(21,22)17(19(23,24)25,7-1-3-9-11(5-7)15(28)30-13(9)26)8-2-4-10-12(6-8)16(29)31-14(10)27/h1-6H
• InChIKey: QHHKLPCQTTWFSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[2-(1,3-dioxo-1,3-dihydro-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dihydro-2-benzofuran-1,3-dione
• IUPAC Traditional name: 5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione
• Synonyms: 4,4′-(Hexafluoroisopropylidene)diphthalic anhydride; 4,4'-(Hexafluoroisopropylidene)diphthalic anhydride; 4,4'-(Hexafluoroisopropylidene)diphthalic anhydride; 5,5'-(1,1,1,3,3,3-Hexafluoropropane-2,2-diyl)bis(2-benzofuran-1,3-dione); 2,2-Bis(1,3-dihydro-1,3-dioxobenzo[c]furan-5-yl)hexafluoropropane 99%; 4,4'-(Hexafluoroisopropylidene)diphthalic anhydride; 4,4′-(六氟异丙烯)二酞酸酐; 4,4-六氟异丙基 邻苯二甲酸酐

Database IDs

• CAS Number: 1107-00-2
• EC Number: 214-170-0
• MDL Number: MFCD00039143
• Beilstein Number: 7057916
• PubChem SID: 24864091; 160971082
• PubChem CID: 70677

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.279636
• LogD (pH = 7.4): 4.279636
• Log P: 4.279636
• Molar Refractivity: 99.7923 cm^3
• Polarizability: 32.14135 Å^3
• Polar Surface Area: 86.74 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 241-243°C; 244-247 °C(lit.); 244-247°C; 244-247°C

Safety Information

• Storage Warning: Corrosive/Moisture Sensitive/Store under Argon; IRRITANT; Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Irritant (Xi)
• UN Number: 3261
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34; 36/37/38
• Safety Statements: 26-36/37/39-45; 26-37
• TSCA Listed: true; 是
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3261 8/PG 2

Product Information

• Purity: 99%
• Empirical Formula (Hill Notation): C19H6F6O6

DETAILS

Apollo Scientific Ltd - PC4755

Intermediate for high performance polyimides.

Sigma Aldrich - 386448

Packaging
5, 25 g in glass bottle