1-fluorononane

• ChemBase ID: 98320
• Molecular Formular: C9H19F
• Molecular Mass: 146.2455632
• Monoisotopic Mass: 146.14707883
• SMILES: FCCCCCCCCC
• Canonical SMILES: CCCCCCCCCF
• InChI: InChI=1S/C9H19F/c1-2-3-4-5-6-7-8-9-10/h2-9H2,1H3
• InChIKey: ITPAUTYYXIENLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-fluorononane
• IUPAC Traditional name: 1-fluorononane
• Synonyms: 1-Fluorononane; n-Nonyl fluoride; 1-Fluorononane 98%; 1-氟壬烷

Database IDs

• CAS Number: 463-18-3
• MDL Number: MFCD00000455
• PubChem SID: 162084766
• PubChem CID: 10029

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.9192572
• LogD (pH = 7.4): 3.9192572
• Log P: 3.9192572
• Molar Refractivity: 43.4478 cm^3
• Polarizability: 16.981855 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 166-169 °C(lit.); 166-169°C
• Flash Point: 120.2 °F; 49 °C
• Density: 0.816; 0.816 g/mL at 25 °C(lit.)
• Refractive Index: 1.403; n20/D 1.4031(lit.)

Safety Information

• Storage Warning: Irritant
• RTECS: RA6605000
• European Hazard Symbols: Harmful (Xn)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-20/21/22-36/37/38
• Safety Statements: 16-26-36/37/39-45
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: 97%
• Linear Formula: CH3(CH2)8F