1-ethoxy-1,1,2,2-tetrafluoroethane

• ChemBase ID: 6476
• Molecular Formular: C4H6F4O
• Molecular Mass: 146.0834528
• Monoisotopic Mass: 146.03547769
• SMILES: CCOC(C(F)F)(F)F
• Canonical SMILES: CCOC(C(F)F)(F)F
• InChI: InChI=1S/C4H6F4O/c1-2-9-4(7,8)3(5)6/h3H,2H2,1H3
• InChIKey: HBRLMDFVVMYNFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethoxy-1,1,2,2-tetrafluoroethane
• IUPAC Traditional name: 1-ethoxy-1,1,2,2-tetrafluoroethane
• Synonyms: Ethyl 1,1,2,2-tetrafluoroethyl ether; 3-Oxa-1,1,2,2-tetrafluoropentane; 1-Ethoxy-1,1,2,2-tetrafluoroethane; Ethyl 1,1,2,2-tetrafluoroethyl ether; 1,1,2,2-四氟乙基乙醚

Database IDs

• CAS Number: 512-51-6
• MDL Number: MFCD00069162
• PubChem SID: 160969783
• PubChem CID: 120272

CALCULATED PROPERTIES

• LogD (pH = 7.4): 1.7958318
• Log P: 1.7958318
• Molar Refractivity: 22.8866 cm^3
• Polarizability: 8.511741 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 18.883286
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.7958318

PROPERTIES

Physical Property

• Boiling Point: 56-58°C; 57°C
• Flash Point: -15°C; -15°C(-5°F)
• Density: 1.198
• Refractive Index: 1.294

Safety Information

• Storage Warning: Highly Flammable/Irritant; IRRITANT
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: UN3271
• Hazard Class: 3
• Packing Group: II
• Risk Statements: 11-36/37/38
• Safety Statements: 23-26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H225-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 97%