methyl 2,2,3,3-tetrafluoropropyl carbonate

• ChemBase ID: 99841
• Molecular Formular: C5H6F4O3
• Molecular Mass: 190.0929528
• Monoisotopic Mass: 190.02530693
• SMILES: O(CC(F)(F)C(F)F)C(=O)OC
• Canonical SMILES: COC(=O)OCC(C(F)F)(F)F
• InChI: InChI=1S/C5H6F4O3/c1-11-4(10)12-2-5(8,9)3(6)7/h3H,2H2,1H3
• InChIKey: LDTVHHNIXCBROE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2,2,3,3-tetrafluoropropyl carbonate
• IUPAC Traditional name: methyl 2,2,3,3-tetrafluoropropyl carbonate
• Synonyms: Methyl 2,2,3,3-tetrafluoropropyl carbonate 99%; Methyl 2,2,3,3-tetrafluoropropyl carbonate; 2,2,3,3-四氟丙基碳酸甲酯

Database IDs

• CAS Number: 156783-98-1
• MDL Number: MFCD08688580
• PubChem SID: 162086088
• PubChem CID: 21263425

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.708818
• LogD (pH = 7.4): 1.708818
• Log P: 1.708818
• Molar Refractivity: 28.2648 cm^3
• Polarizability: 11.31532 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Refractive Index: 1.3450

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: P280G-P305+P351+P338

Product Information

• Purity: 99%