IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data
Identification
Product Name4,4'-DIAMINOOCTAFLUOROBIPHENYL CAS#: 1038-66-0IUPAC Name4-(4-amino-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluoroanilineMolecular StructureCAS Registry Number 1038-66-0Synonyms4,4'-Diaminooctafluorobiphenyl1038-66-0Octafluorobenzidine2,2',3,3',5,5',6,6'-Octafluoro--4,4'-diamine4,4'-Diaminooctafluorodiphenyl-4,4'-diamine, 2,2',3,3',5,5',6,6'-octafluoro-4-(4-amino-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluoroaniline2,2',3,3',5,5',6,6'-Octafluorobenzidine4,4'-DiaminoctafluorobiphenylMFCD00007646Benzidine, 2,2',3,3',5,5',6,6'-octafluoro-4,4'-Biphenyldiamine, 2,2',3,3',5,5',6,6'-octafluoro-4,4/'-DIAMINOOCTAFLUOROBIPHENYL(1,1'-Biphenyl)-4,4'-diamine, 2,2',3,3',5,5',6,6'-octafluoro-Benzidine, octafluoro-C12H4F8N2Octafluoro-4,4'-biphenylenediamineEINECS 213-861-4NSC 883392,2',3,3',5,5',6,6'-octafluoro-4,4'-bibenzenamineAI3-52506NCIOpen2_009601YSWG7274,4-DiaminooctafluorobiphenylSCHEMBL600277DTXSID80614244,4''-DiaminooctafluorobiphenylNSC883392,2',3,3',5,5',6,6'-Octafluoro-4,4'-diamineNSC-88339AKOS007930313FS-4814SY0503534,4'-Diaminooctafluorobiphenyl, >/=97%2,3,3',5,5',6,6'-OctafluorobenzidineDB-040489CS-0121222D1632NS00015799A11847Benzidine,2',3,3',5,5',6,6'-octafluoro-4, 2,2',3,3',5,5',6,6'-octafluoro-OCTAFLUORO--4,4'-DIAMINE4,4'-Diaminooctafluorobiphenyl, 90%, technical grade-4,4 inverted exclamation mark -diamineMolecular FormulaC12H4F8N2Molecular Weight328.16InChIInChI=1S/C12H4F8N2/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16/h21-22H2 InChI KeyFWOLORXQTIGHFX-UHFFFAOYSA-NIsomeric SMILESC1(=C(C(=C(C(=C1F)F)N)F)F)C2=C(C(=C(C(=C2F)F)N)F)F
Patent InformationPatent IDTitlePublication DateCN114195688Diamine compound, resin, photosensitive resin composition, and cured film2022
Physical Data
AppearanceOff-white solid powder
Melting Point, °C Solvent (Melting Point)173 - 175175 - 176.5181 - 181.5benzene173 - 174petroleum ether
Density, g·cm-31.876
Spectra
Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Temperature (NMR Spectroscopy), °C Chemical shifts1Hchloroform-d1Chemical shifts19Fchloroform-d1Chemical shifts19Fdimethylsulfoxide-d622
Description (IR Spectroscopy)Solvent (IR Spectroscopy)Fine structure of IR bandsSpectrumKBrFermi resonanceBands
Description (UV/VIS Spectroscopy)Absorption maxima
Route of Synthesis (ROS)
Route of Synthesis (ROS) of 4,4'-DIAMINOOCTAFLUOROBIPHENYL CAS 1038-66-0
ConditionsYieldWith pyridine In tetrahydrofuran for 12h; Cooling with ice;Experimental ProcedureIn an ice-water bath, dissolve 32.817g (100mmol) of 4,4'-diaminooctafluorobiphenyl in 300mL of tetrahydrofuran, then add 16.5mL (200mmol) of pyridine solution, after dissolving, slowly add 50.712g dropwise (200mmol) of 4-nitro-2-trifluoromethyl benzoyl chloride, after the dripping is completed, the reaction is fully stirred for 12h to produce a precipitate; the precipitate is filtered, thoroughly washed with tetrahydrofuran and deionized water, and then The precipitate was dried under reduced pressure at 100°C for 12 hours, and pulverized to obtain a solid powder (yield 87.1%), which is the nitro compound of the diamine precursor represented by formula (3);87.1%
Safety and Hazards
Pictogram(s)SignalWarningGHS Hazard StatementsH315 (100%): Causes skin irritation H319 (100%): Causes serious eye irritation H335 (97.5%): May cause respiratory irritation Precautionary Statement CodesP261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501(The corresponding statement to each P-code can be found at the GHS Classification page.)
Other Data
DruglikenessLipinski rules componentMolecular Weight328.164logP3.616HBA2HBD2Matching Lipinski Rules4Veber rules componentPolar Surface Area (PSA)52.04Rotatable Bond (RotB)1Matching Veber Rules2
Use Pattern4,4'-Diaminooctafluorobiphenyl is commonly used in the synthesis of high-performance polyimides. These polyimides exhibit excellent thermal stability, mechanical properties, and chemical resistance, making them suitable for aerospace, electronics, and high-temperature environments.It is also used in the synthesis of polyaryletherketones, which are high-strength, chemically resistant, and high-temperature-resistant materials suitable for high-performance engineeringplastics.4,4'-Diaminooctafluorobiphenyl is used in the production of alignment layer materials for liquid crystal displays, improving display performance and stability.Semiconductor Materials: It is used in the semiconductor industry for photoresists and other electronic materials, providing excellent thermal stability and chemical resistance.Coatings and AdhesivesDue to its excellent thermal stability and chemical resistance, 4,4'-Diaminooctafluorobiphenyl is used in the production of high-temperature coatings, suitable for protective coatings in high-temperature environments.High-Performance Adhesives: It is used in the manufacture of high-performance adhesives, offering superior bonding performance and chemical resistance, suitable for aerospace and electronics industries.
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