N-({[(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)oxy]carbonyl}imino)[(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)oxy]formamide

• ChemBase ID: 142172
• Molecular Formular: C20H12F26N2O4
• Molecular Mass: 838.2787632
• Monoisotopic Mass: 838.03819059
• SMILES: C(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)COC(=O)/N=N/C(=O)OCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: O=C(/N=N/C(=O)OCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C20H12F26N2O4/c21-9(22,11(25,26)13(29,30)15(33,34)17(37,38)19(41,42)43)3-1-5-51-7(49)47-48-8(50)52-6-2-4-10(23,24)12(27,28)14(31,32)16(35,36)18(39,40)20(44,45)46/h1-6H2
• InChIKey: DYPPJKHPJMGHKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({[(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)oxy]carbonyl}imino)[(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)oxy]formamide
• IUPAC Traditional name: N-({[(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)oxy]carbonyl}imino)[(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)oxy]formamide
• Synonyms: Bis(1H,1H,2H,2H,3H,3H-perfluorononyl) azodicarboxylate; Bis(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl) azodicarboxylate; 双(1H,1H,2H,2H,3H,3H-全氟壬基)偶氮基二羧酸酯; 双(4,4,5,5,6,6,7,7,8,8,9,9,9-十三氟壬基)偶氮基二羧酸酯

Database IDs

• CAS Number: 462996-01-6
• MDL Number: MFCD06411718
• PubChem SID: 24885759; 162236402
• PubChem CID: 11983698

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 9.673545
• LogD (pH = 7.4): 9.673545
• Log P: 9.673545
• Molar Refractivity: 105.8 cm^3
• Polarizability: 40.692455 Å^3
• Polar Surface Area: 77.32 Å^2
• Rotatable Bonds: 20
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 56-60 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: -20°C

Product Information

• Purity: ≥90%
• Empirical Formula (Hill Notation): C20H12F26N2O4

DETAILS

Sigma Aldrich - 68333

Packaging
1 g in poly bottle
Legal Information
Product of Fluorous Technologies, Inc. Use of this compound may be protected by U.S. patents 6,156,896; 5,859,247; 5,777,121 and 6,673,539.