1,4-diethyl 2,2,3,3-tetrafluorobutanedioate

• ChemBase ID: 11908
• Molecular Formular: C8H10F4O4
• Molecular Mass: 246.1562128
• Monoisotopic Mass: 246.05152168
• SMILES: O=C(OCC)C(C(C(=O)OCC)(F)F)(F)F
• Canonical SMILES: CCOC(=O)C(C(C(=O)OCC)(F)F)(F)F
• InChI: InChI=1S/C8H10F4O4/c1-3-15-5(13)7(9,10)8(11,12)6(14)16-4-2/h3-4H2,1-2H3
• InChIKey: BLZSSBPZHBFNBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-diethyl 2,2,3,3-tetrafluorobutanedioate
• IUPAC Traditional name: 1,4-diethyl 2,2,3,3-tetrafluorobutanedioate
• Synonyms: Diethyl tetrafluorosuccinate; Tetrafluorosuccinic acid diethyl ester; Diethyl tetrafluorosuccinate; Diethyl tetrafluorosuccinate 97%; 四氟琥珀酸二乙酯

Database IDs

• CAS Number: 377-71-9
• EC Number: 206-821-2
• MDL Number: MFCD00015155
• Beilstein Number: 1798175
• PubChem SID: 160975215
• PubChem CID: 67834

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.142938
• LogD (pH = 7.4): 2.142938
• Log P: 2.142938
• Molar Refractivity: 42.81 cm^3
• Polarizability: 16.749979 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 78°C/5mm; 78°C/5mm
• Density: 1.273
• Refractive Index: 1.368; 1.3680

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%