1-fluoropentane

• ChemBase ID: 93970
• Molecular Formular: C5H11F
• Molecular Mass: 90.1392432
• Monoisotopic Mass: 90.08447857
• SMILES: FCCCCC
• Canonical SMILES: CCCCCF
• InChI: InChI=1S/C5H11F/c1-2-3-4-5-6/h2-5H2,1H3
• InChIKey: OEPRBXUJOQLYID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-fluoropentane
• IUPAC Traditional name: 1-fluoropentane
• Synonyms: n-Amyl fluoride; 1-Fluoropentane 97%; Amyl fluoride; 1-Fluoropentane; 戊烷基氟; 1-氟戊烷

Database IDs

• CAS Number: 592-50-7
• EC Number: 209-761-5
• MDL Number: MFCD00000453
• PubChem SID: 162080625; 24855116
• PubChem CID: 11603

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.1409824
• LogD (pH = 7.4): 2.1409824
• Log P: 2.1409824
• Molar Refractivity: 25.0438 cm^3
• Polarizability: 9.6276045 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 62-63 °C(lit.); 62-63°C
• Flash Point: -22°C; -23 °C; -9.4 °F
• Density: 0.789; 0.789 g/mL at 25 °C(lit.)
• Refractive Index: 1.36; n20/D 1.36(lit.)

Safety Information

• Storage Warning: Flammable/Irritant
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-36/37/38
• Safety Statements: 16-26-36/37/39
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H315-H319-H335
• GHS Precautionary statements: P210-P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1993 3/PG 2

Product Information

• Purity: 98%
• Linear Formula: CH3(CH2)4F

DETAILS

Sigma Aldrich - 251194

Packaging
5 g in ampule