octafluoronaphthalene

• ChemBase ID: 98324
• Molecular Formular: C10F8
• Molecular Mass: 272.0942256
• Monoisotopic Mass: 271.98722576
• SMILES: Fc1c(c(c(c2c(c(c(c(c12)F)F)F)F)F)F)F
• Canonical SMILES: Fc1c(F)c(F)c(c2c1c(F)c(c(c2F)F)F)F
• InChI: InChI=1S/C10F8/c11-3-1-2(5(13)9(17)7(3)15)6(14)10(18)8(16)4(1)12
• InChIKey: JDCMOHAFGDQQJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octafluoronaphthalene
• IUPAC Traditional name: octafluoronaphthalene
• Synonyms: Perfluoronaphthalene; Octafluoronaphthalene; Perfluoronaphthalene 97%; Octafluoronaphthalene; octafluoroNaphthalene; 八氟萘烷; 八氟萘

Database IDs

• CAS Number: 313-72-4
• EC Number: 206-239-9
• MDL Number: MFCD00014307
• Beilstein Number: 1915630
• PubChem SID: 24854914; 162084770
• PubChem CID: 67564

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.104338
• LogD (pH = 7.4): 4.104338
• Log P: 4.104338
• Molar Refractivity: 44.2394 cm^3
• Polarizability: 16.401966 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 84-89°C; 87-88 °C(lit.); 87-88°C
• Boiling Point: 209°C; 80°C/15mm
• Density: 2.070
• Refractive Index: 1.3670

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 96%; 97%
• Empirical Formula (Hill Notation): C10F8

DETAILS

Sigma Aldrich - 248061

Packaging
1 g in glass bottle