pentafluoro(2H)ethane

• ChemBase ID: 135528
• Molecular Formular: C2HF5
• Molecular Mass: 120.021356
• Monoisotopic Mass: 119.99984113
• SMILES: C(C(F)(F)F)(F)F
• Canonical SMILES: FC(C(F)(F)F)F
• InChI: InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H
• InChIKey: GTLACDSXYULKMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pentafluoro(^2H)ethane
• IUPAC Traditional name: pentafluoro(^2H)ethane
• Synonyms: Pentafluoroethane-d1; 五氟乙烷-d1

Database IDs

• MDL Number: MFCD01073940
• PubChem SID: 162229802
• PubChem CID: 59129850

CALCULATED PROPERTIES

• Acid pKa: 18.361525
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.5929569
• LogD (pH = 7.4): 1.5929569
• Log P: 1.5929569
• Molar Refractivity: 11.9795 cm^3
• Polarizability: 4.581402 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: -48 °C
• Mass Shift: M+1

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 3220
• German water hazard class: 1
• Hazard Class: 2.2
• Risk Statements: 36/37/38
• Safety Statements: 26-38
• GHS Pictograms: GHS04; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H280-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338-P410 + P403
• RID/ADR: UN 3220 2.2

Product Information

• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 121.01 by atom % calculation
• Linear Formula: CF3CDF2

DETAILS

Sigma Aldrich - 666351

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.