1-fluoropropane

• ChemBase ID: 9650
• Molecular Formular: C3H7F
• Molecular Mass: 62.0860832
• Monoisotopic Mass: 62.05317844
• SMILES: CCCF
• Canonical SMILES: CCCF
• InChI: InChI=1S/C3H7F/c1-2-3-4/h2-3H2,1H3
• InChIKey: JRHNUZCXXOTJCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-fluoropropane
• IUPAC Traditional name: 1-fluoropropane
• Synonyms: 1-Fluoropropane; Propyl fluoride 98%; 1-Fluoropropane

Database IDs

• CAS Number: 460-13-9
• MDL Number: MFCD01320734
• PubChem SID: 160972957
• PubChem CID: 9998

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.251845
• LogD (pH = 7.4): 1.251845
• Log P: 1.251845
• Molar Refractivity: 15.8418 cm^3
• Polarizability: 5.974419 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -159°C
• Boiling Point: -2.5°C; -3°C
• Density: 0.781
• Refractive Index: 1.3225

Safety Information

• Storage Warning: GAS, FLAMMABLE; Highly Flammable
• TSCA Listed: false

Product Information

• Purity: 98%

DETAILS

Apollo Scientific Ltd - PC0911

Cylinder - 1/4" NPT connection