1,1,2-trifluoroethene

• ChemBase ID: 99590
• Molecular Formular: C2HF3
• Molecular Mass: 82.0245496
• Monoisotopic Mass: 82.00303469
• SMILES: FC(=CF)F
• Canonical SMILES: FC=C(F)F
• InChI: InChI=1S/C2HF3/c3-1-2(4)5/h1H
• InChIKey: MIZLGWKEZAPEFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2-trifluoroethene
• IUPAC Traditional name: trifluoroethene
• Synonyms: 1,1,2-Trifluoroethene; 1,1,2-Trifluoroethylene; 1H-Trifluoroethylene 97%; Trifluoroethene; Trifluoroethylene; 三氟乙烯

Database IDs

• CAS Number: 359-11-5
• EC Number: 206-626-2
• MDL Number: MFCD00039275
• PubChem SID: 162085853
• PubChem CID: 9665

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.1418136
• LogD (pH = 7.4): 1.1418136
• Log P: 1.1418136
• Molar Refractivity: 21.3186 cm^3
• Polarizability: 4.0063443 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -78°C
• Boiling Point: -51°C/0.8mm
• Density: 1.265

Safety Information

• Storage Warning: Extremely Flammable
• European Hazard Symbols: Highly flammable (F+)
• UN Number: 2037
• German water hazard class: 3
• Hazard Class: 2.1
• Risk Statements: 12
• Safety Statements: 16-33
• GHS Pictograms: GHS02; GHS04
• GHS Signal Word: Danger
• GHS Hazard statements: H220-H280
• GHS Precautionary statements: P210-P410 + P403
• RID/ADR: UN 2037 2.1

Product Information

• Purity: ≥97.5% (GC)
• Linear Formula: FCH=CF2

DETAILS

Apollo Scientific Ltd - PC7360

Inhibited with 0.5% dipentene. Cylinder - CGA 350 connection