(2,2,2-trifluoroethoxy)ethene

• ChemBase ID: 97434
• Molecular Formular: C4H5F3O
• Molecular Mass: 126.0771096
• Monoisotopic Mass: 126.02924944
• SMILES: O(CC(F)(F)F)C=C
• Canonical SMILES: C=COCC(F)(F)F
• InChI: InChI=1S/C4H5F3O/c1-2-8-3-4(5,6)7/h2H,1,3H2
• InChIKey: DLEGDLSLRSOURQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,2,2-trifluoroethoxy)ethene
• IUPAC Traditional name: (2,2,2-trifluoroethoxy)ethene; fluroxene
• Synonyms: (2,2,2-Trifluoroethoxy)ethylene; Fluroxene; 2,2,2-Trifluoroethyl vinyl ether 97%; (2,2,2-Trifluoroethoxy)ethene; Fluoroxene; 2,2,2-Trifluoroethyl vinyl ether; 2,2,2-三氟乙基 乙烯 醚; (2,2,2-三氟乙氧基)乙烯; 三氟乙烯醚; 2,2,2-三氟乙基乙烯醚

Database IDs

• CAS Number: 406-90-6
• EC Number: 206-977-1
• MDL Number: MFCD00864407
• Beilstein Number: 1745876
• Merck Index: 144202
• PubChem SID: 162084041
• PubChem CID: 9844

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.5843201
• LogD (pH = 7.4): 1.5843201
• Log P: 1.5843201
• Molar Refractivity: 22.1548 cm^3
• Polarizability: 8.201793 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 42-43°C; 43°C
• Flash Point: -18.4 °F; -28 °C; -30°C; -30°C(-22°F)
• Density: 1.108 g/mL at 25 °C; 1.135
• Refractive Index: 1.3192; 1.3200; n20/D 1.320

Safety Information

• Storage Warning: Highly Flammable/Irritant/Light Sensitive/Keep Cold
• RTECS: KO4250000
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 3271; UN3271
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 10-41; 11-68
• Safety Statements: 16-26-39; 9-16-29-33-36/37
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H318; H225-H341
• GHS Precautionary statements: P210-P241-P280-P303+P361+P353-P405-P501A; P210-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 3271 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: 97%; 97%, stab.
• Empirical Formula (Hill Notation): C4H5F3O

DETAILS

Apollo Scientific Ltd - PC4526

Stabilised with 0.01% potassium hydroxide

Sigma Aldrich - 697435

Packaging
1, 5 g in glass bottle