3,3,3-trifluoroprop-1-ene

• ChemBase ID: 8291
• Molecular Formular: C3H3F3
• Molecular Mass: 96.0511296
• Monoisotopic Mass: 96.01868476
• SMILES: FC(F)(F)C=C
• Canonical SMILES: C=CC(F)(F)F
• InChI: InChI=1S/C3H3F3/c1-2-3(4,5)6/h2H,1H2
• InChIKey: FDMFUZHCIRHGRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3,3-trifluoroprop-1-ene
• IUPAC Traditional name: 3,3,3-trifluoro-1-propene
• Synonyms: 3,3,3-Trifluoroprop-1-ene 99%; 3,3,3-Trifluoropropene; 3,3,3-Trifluoropropene; 3,3,3-三氟丙烯

Database IDs

• CAS Number: 677-21-4
• EC Number: 211-637-0
• MDL Number: MFCD00039265
• PubChem SID: 24863102; 160971598
• PubChem CID: 12672

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.857871
• LogD (pH = 7.4): 1.857871
• Log P: 1.857871
• Molar Refractivity: 16.5818 cm^3
• Polarizability: 5.6633086 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: -18 to -16°C; -18--16 °C(lit.); -21°C
• Density: 0.94
• Vapor Pressure: 3380 mmHg ( 20 °C)
• Vapor Density: 3.3 (vs air)

Safety Information

• Storage Warning: GAS, FLAMMABLE; Highly Flammable
• RTECS: UD2792000
• European Hazard Symbols: Flammable (F)
• UN Number: 1954
• German water hazard class: 3
• Hazard Class: 2.1
• Risk Statements: 11
• Safety Statements: 16-38
• TSCA Listed: true
• GHS Pictograms: GHS04
• GHS Signal Word: Warning
• Explode Limits: 13.5 %
• GHS Hazard statements: H280
• GHS Precautionary statements: P410 + P403
• Personal Protective Equipment: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1954 2.1

Product Information

• Purity: 99%
• Linear Formula: CF3CH=CH2

DETAILS

Apollo Scientific Ltd - PC7820

Cylinder - 1/4" NPT connection

Sigma Aldrich - 371378

Packaging
25 g in Sure-Pac™
Recommended products
Brass hose adapter Z146811 or brass body mini gas regulator Z513539 is recommended.