ethyl 2-fluoroacetate

• ChemBase ID: 109108
• Molecular Formular: C4H7FO2
• Molecular Mass: 106.0955832
• Monoisotopic Mass: 106.04300768
• SMILES: CCOC(=O)CF
• Canonical SMILES: CCOC(=O)CF
• InChI: InChI=1S/C4H7FO2/c1-2-7-4(6)3-5/h2-3H2,1H3
• InChIKey: VCYZVXRKYPKDQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-fluoroacetate
• IUPAC Traditional name: ethyl 2-fluoroacetate
• Synonyms: ETHYL MONOFLUOROACETATE; Ethyl fluoroacetate; Ethyl fluoroacetate; 氟乙酸乙酯

Database IDs

• CAS Number: 459-72-3
• EC Number: 207-297-8
• MDL Number: MFCD00000450
• Beilstein Number: 1743761
• PubChem SID: 24850037; 24870621; 162094667
• PubChem CID: 9988

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.35320002
• LogD (pH = 7.4): 0.35320002
• Log P: 0.35320002
• Molar Refractivity: 22.1715 cm^3
• Polarizability: 8.738626 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 119.3 °C/753 mmHg(lit.)
• Flash Point: 31 °C; 87.8 °F
• Density: 1.098 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.375(lit.); n20/D 1.377

Safety Information

• RTECS: AH7175000
• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: 2929
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 28-50
• Safety Statements: 20-22-26-45-61
• GHS Pictograms: GHS02; GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H300-H400
• GHS Precautionary statements: P264-P273-P301 + P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2929 6.1/PG 2

Product Information

• Purity: ≥98.0% (GC); 98%
• Grade: purum
• Linear Formula: FCH2COOC2H5

DETAILS

MP Biomedicals - 05209881

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 163813

Packaging
10, 50 g in glass bottle