ethyl 2,2,3,3,3-pentafluoropropyl carbonate

• ChemBase ID: 99840
• Molecular Formular: C6H7F5O3
• Molecular Mass: 222.109996
• Monoisotopic Mass: 222.03153518
• SMILES: O(CC(F)(F)C(F)(F)F)C(=O)OCC
• Canonical SMILES: CCOC(=O)OCC(C(F)(F)F)(F)F
• InChI: InChI=1S/C6H7F5O3/c1-2-13-4(12)14-3-5(7,8)6(9,10)11/h2-3H2,1H3
• InChIKey: NBYIBDCXTMTKLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2,2,3,3,3-pentafluoropropyl carbonate
• IUPAC Traditional name: ethyl 2,2,3,3,3-pentafluoropropyl carbonate
• Synonyms: Ethyl 2,2,3,3,3-pentafluoropropyl carbonate 97+%; Ethyl 2,2,3,3,3-pentafluoropropyl carbonate; 2,2,3,3,3-五氟丙基碳酸乙酯

Database IDs

• CAS Number: 277332-96-4
• MDL Number: MFCD08688581
• PubChem SID: 162086087
• PubChem CID: 26597286

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5543864
• LogD (pH = 7.4): 2.5543864
• Log P: 2.5543864
• Molar Refractivity: 33.9031 cm^3
• Polarizability: 13.086888 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Refractive Index: 1.3300

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P280-P305+P351+P338-P302+P352-P321-P362-P332+P313

Product Information

• Purity: 97%