4-(4-aminophenoxy)aniline; 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: 137005
• Molecular Formular: C31H18F6N2O7
• Molecular Mass: 644.4742392
• Monoisotopic Mass: 644.10182025
• SMILES: c1cc(ccc1N)Oc1ccc(cc1)N.c1cc2c(cc1C(c1ccc3c(c1)C(=O)OC3=O)(C(F)(F)F)C(F)(F)F)C(=O)OC2=O
• Canonical SMILES: O=C1OC(=O)c2c1cc(cc2)C(C(F)(F)F)(C(F)(F)F)c1ccc2c(c1)C(=O)OC2=O.Nc1ccc(cc1)Oc1ccc(cc1)N
• InChI: InChI=1S/C19H6F6O6.C12H12N2O/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;13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-6H;1-8H,13-14H2
• InChIKey: DBXXZCQVCNSUJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-aminophenoxy)aniline; 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: 4,4-oxydianiline; 5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione
• Synonyms: Poly[4,4′-(hexafluoroisopropylidene)diphthalic anhydride-co-4,4′-oxydianiline], amic acid solution; 聚[4,4′-(六氟异丙烯)二酞酸酐-co-4,4′-二氨基二苯醚]，酰胺酸 溶液

Database IDs

• CAS Number: 32240-73-6
• PubChem SID: 162231271
• PubChem CID: 71310013

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: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: 140 °F; 60 °C
• Viscosity: 12-16 poise(lit.)
• Transition Temperature: Tg 290 °C (imide)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38-63
• Safety Statements: 23-26-36-36/37/39

Product Information

• Concentration: 15%±1% in 1-methyl-2-pyrrolidinone: aromatic hydrocarbon (3:1)
• Impurities: ≤10 ppm total metals
• Antion Traces: chloride (Cl-): ≤5 ppm
• Purified By: filtration through 0.2μm medium

DETAILS

Sigma Aldrich - 431192

Application
Semi-conductor material. Dielectric component in thin films, high density interconnect systems and multichip modules.
Caution
Forms insoluble polyimide upon heating
Features and Benefits
High purity material with controlled metallic content. Polyimide has good thermal, mechanical and electrical properties.