2,3,3,3-tetrafluoroprop-1-ene

• ChemBase ID: 8052
• Molecular Formular: C3H2F4
• Molecular Mass: 114.0415928
• Monoisotopic Mass: 114.00926294
• SMILES: C=C(C(F)(F)F)F
• Canonical SMILES: FC(=C)C(F)(F)F
• InChI: InChI=1S/C3H2F4/c1-2(4)3(5,6)7/h1H2
• InChIKey: FXRLMCRCYDHQFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,3,3-tetrafluoroprop-1-ene
• IUPAC Traditional name: 2,3,3,3-tetrafluoropropene
• Synonyms: 2,3,3,3-Tetrafluoroprop-1-ene; 1H,1H-Perfluoroprop-1-ene; HFO-1234yf; R1234yf; 2,3,3,3-Tetrafluoropropylene; 2,3,3,3-Tetrafluoropropene; 2,3,3,3-Tetrafluoropropene-1

Database IDs

• CAS Number: 754-12-1
• MDL Number: MFCD01320735
• PubChem SID: 160971359
• PubChem CID: 2776731
• Chemspider ID: 2057041
• Wikipedia Title: 2,3,3,3-Tetrafluoropropene

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.6332914
• LogD (pH = 7.4): 1.6332914
• Log P: 1.6332914
• Molar Refractivity: 16.7096 cm^3
• Polarizability: 5.7624016 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 198.2 mg/l at 24 °C, 92/69/EEC, A.6 in water
• Apperance: colorless gas
• Melting Point: -152.24°C
• Boiling Point: -28°C; -28.3°C; -30 °C
• Auto Ignition Point: 405 °C
• Density: 1.1 g/cm^3 at 25 °C (liquid); 4, air = 1 (gas)
• Vapor Pressure: 6,067 hPa at 21.1 °C; 14,203 hPa at 54.4 °C
• Partition Coefficient: 2.15, n-octanol/water, 92/69/EEC, A.8

Safety Information

• Storage Warning: GAS, FLAMMABLE; Highly Flammable/Irritant
• Safety Statements: R
• TSCA Listed: false
• Explode Limits: 6.2 %(v); 12.3 %(v)

Product Information

• Purity: 97%

DETAILS

Apollo Scientific Ltd - PC0987

Cylinder - 1/4" NPT connection