3-(3-aminobenzoyl)aniline; 5-(1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl)-2,3-dihydro-1H-isoindole-1,3-dione

• ChemBase ID: 138703
• Molecular Formular: C30H20N4O6
• Molecular Mass: 532.503
• Monoisotopic Mass: 532.13828438
• SMILES: c1cc(cc(c1)N)C(=O)c1cccc(c1)N.c1cc2c(cc1C(=O)c1ccc3c(c1)C(=O)NC3=O)C(=O)NC2=O
• Canonical SMILES: O=C(c1ccc2c(c1)C(=O)NC2=O)c1ccc2c(c1)C(=O)NC2=O.Nc1cccc(c1)C(=O)c1cccc(c1)N
• InChI: InChI=1S/C17H8N2O5.C13H12N2O/c20-13(7-1-3-9-11(5-7)16(23)18-14(9)21)8-2-4-10-12(6-8)17(24)19-15(10)22;14-11-5-1-3-9(7-11)13(16)10-4-2-6-12(15)8-10/h1-6H,(H,18,21,23)(H,19,22,24);1-8H,14-15H2
• InChIKey: CLNYWOAUAVHHOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-aminobenzoyl)aniline; 5-(1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl)-2,3-dihydro-1H-isoindole-1,3-dione
• IUPAC Traditional name: 3,3'-diaminodiphenyl ketone; 5-(1,3-dioxo-2H-isoindole-5-carbonyl)-2H-isoindole-1,3-dione
• Synonyms: LARC-TPI; Poly(3,3′-diaminobenzophenone-co-3,3′,4,4′-benzophenonetetracarboxylic dianhydride); 聚(3,3′-二氨基二苯甲酮-co-3,3′,4,4′-二苯甲酮四甲酸二酐)

Database IDs

• CAS Number: 51518-44-6
• PubChem SID: 162232954
• PubChem CID: 45157505

CALCULATED PROPERTIES

• Acid pKa: 7.9256105
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.871261
• LogD (pH = 7.4): 0.75366384
• Log P: 0.8729533
• Molar Refractivity: 83.1471 cm^3
• Polarizability: 29.707571 Å^3
• Polar Surface Area: 109.41 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: >500 °C(lit.)
• Transition Temperature: Tg 245 °C; Tm 276 °C (DSC, 20°C/min)
• Dielectric Constant: 3.3, 1 MHz

Safety Information

• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

DETAILS

Sigma Aldrich - 388572

Application
Adhesive for wide area bonding of metals, ceramics and polyimide films. Molding powder, varnish component and glass fiber cloth prepreg.
Features and Benefits
Can be imidized at a low temperature and processed as a thermoplastic. High chemical resistance to almost all chemicals and organic solvents. Highly thermo-oxidative and chemically stable polyimide developed by NASA. No weight loss up to 400°C
Physical form
Crystalline (30%) linear polyimide powder.