9-azido-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorononane

• ChemBase ID: 140557
• Molecular Formular: C9H6F13N3
• Molecular Mass: 403.1432816
• Monoisotopic Mass: 403.03541407
• SMILES: C(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CN=[N+]=[N-]
• Canonical SMILES: FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(CCCN=[N+]=[N-])F
• InChI: InChI=1S/C9H6F13N3/c10-4(11,2-1-3-24-25-23)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h1-3H2
• InChIKey: DQEDVGBNEFVPEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-azido-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorononane
• IUPAC Traditional name: 9-azido-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorononane
• Synonyms: 1H,1H,2H,2H,3H,3H-Perfluorononyl azide; 3-(Perfluorohexyl)propyl azide; 9-Azido-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorononane; 4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononyl azide; 1H,1H,2H,2H,3H,3H-全氟壬基叠氮化物; 3-(全氟己基)丙基叠氮化物; 9-叠氮-1,1,1,2,2,3,3,4,4,5,5,6,6-十三氟壬烷; 4,4,5,5,6,6,7,7,8,8,9,9,9-十三氟壬基叠氮化物

Database IDs

• CAS Number: 852527-60-7
• MDL Number: MFCD09265209
• PubChem SID: 24887242; 162234801
• PubChem CID: 11441040

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.9946523
• LogD (pH = 7.4): 4.9946523
• Log P: 5.108698
• Molar Refractivity: 52.9643 cm^3
• Polarizability: 19.416914 Å^3
• Polar Surface Area: 29.43 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Refractive Index: n20/D 1.342

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: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥97.0%
• Empirical Formula (Hill Notation): C9H6F13N3

DETAILS

Sigma Aldrich - 77983

Packaging
5, 25 mg in glass 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.