(1E)-1,3,3,3-tetrafluoroprop-1-ene

• ChemBase ID: 12138
• Molecular Formular: C3H2F4
• Molecular Mass: 114.0415928
• Monoisotopic Mass: 114.00926294
• SMILES: C(/C=C/F)(F)(F)F
• Canonical SMILES: F/C=C/C(F)(F)F
• InChI: InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1+
• InChIKey: CDOOAUSHHFGWSA-OWOJBTEDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1E)-1,3,3,3-tetrafluoroprop-1-ene; 1,3,3,3-tetrafluoroprop-1-ene
• IUPAC Traditional name: 1,3,3,3-tetrafluoropropene; 1,3,3,3-tetrafluoroprop-1-ene
• Synonyms: 1234zeZ; (1Z)-1,3,3,3-Tetrafluoroprop-1-ene; (1Z)-1H,2H-Perfluoroprop-1-ene; 1,3,3,3-Tetrafluoroprop-1-ene; 1,3,3,3-Tetrafluoroprop-1-ene; 1H,2H-Perfluoroprop-1-ene; (1E)-1,3,3,3-Tetrafluoroprop-1-ene; (1E)-1H,2H-Perfluoroprop-1-ene; HFO-1234ze; trans-1,3,3,3-Tetrafluoro-1-propene; 1,3,3,3-Tetrafluoropropylene; 1,3,3,3-Tetrafluoropropene

Database IDs

• CAS Number: 29118-24-9; 29118-25-0; 1645-83-6
• EC Number: 471-480-0
• MDL Number: MFCD03094118
• PubChem SID: 160975445
• PubChem CID: 5708720
• Chemspider ID: 4647426
• Wikipedia Title: 1,3,3,3-Tetrafluoropropene

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.7137258
• LogD (pH = 7.4): 1.7137258
• Log P: 1.7137258
• Molar Refractivity: 16.795 cm^3
• Polarizability: 5.7600307 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 0.373 g/L in water
• Apperance: Colorless gas
• Boiling Point: 11-12°C; -16°C; -19°C

Safety Information

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

Product Information

• Purity: 97%

DETAILS

Apollo Scientific Ltd - PC49174

Cylinder - 1/4" NPT connection`

Apollo Scientific Ltd - PC6242

Cylinder - 1/4" NPT connection

Apollo Scientific Ltd - PC1290

Cylinder - 1/4" NPT connection