fluorocyclohexane

• ChemBase ID: 8575
• Molecular Formular: C6H11F
• Molecular Mass: 102.1499432
• Monoisotopic Mass: 102.08447857
• SMILES: C1(F)CCCCC1
• Canonical SMILES: FC1CCCCC1
• InChI: InChI=1S/C6H11F/c7-6-4-2-1-3-5-6/h6H,1-5H2
• InChIKey: GOBGVVAHHOUMDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: fluorocyclohexane
• IUPAC Traditional name: cyclohexane, fluoro-
• Synonyms: Fluorocyclohexane; Cyclohexyl fluoride; Fluorocyclohexane 97%; Fluorocyclohexane; 氟代环己烷

Database IDs

• CAS Number: 372-46-3
• EC Number: 206-754-9
• MDL Number: MFCD00021285
• Beilstein Number: 1900795
• PubChem SID: 160971882
• PubChem CID: 78988

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.1717854
• LogD (pH = 7.4): 2.1717854
• Log P: 2.1717854
• Molar Refractivity: 27.5834 cm^3
• Polarizability: 10.743926 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 13°C
• Boiling Point: 103-105°C; 103-105°C
• Flash Point: 5°C(41°F)
• Density: 0.928
• Refractive Index: 1.4146; 1.4160

Safety Information

• Storage Warning: FLAMMABLE; Irritant
• European Hazard Symbols: Flammable (F)
• UN Number: UN1993
• Hazard Class: 3
• Packing Group: II
• Risk Statements: 11
• Safety Statements: 16-33
• TSCA Listed: false; 是
• GHS Pictograms: GHS02
• GHS Hazard statements: H225
• GHS Precautionary statements: P210-P241-P280-P303+P361+P353-P403+P235-P501A

Product Information

• Purity: 97%