1-fluoropropan-2-one

• ChemBase ID: 9801
• Molecular Formular: C3H5FO
• Molecular Mass: 76.0696032
• Monoisotopic Mass: 76.032443
• SMILES: C(=O)(CF)C
• Canonical SMILES: CC(=O)CF
• InChI: InChI=1S/C3H5FO/c1-3(5)2-4/h2H2,1H3
• InChIKey: MSWVMWGCNZQPIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-fluoropropan-2-one
• IUPAC Traditional name: fluoroacetone
• Synonyms: Fluoroacetone; mono-FLUOROACETONE; Fluoroacetone; 1-Fluoropropan-2-one; Fluoroacetone 99%; 氟代丙酮

Database IDs

• CAS Number: 430-51-3
• EC Number: 207-064-0
• MDL Number: MFCD00000451
• PubChem SID: 160973108; 24847218
• PubChem CID: 9889

CALCULATED PROPERTIES

• Acid pKa: 16.688135
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.18012354
• LogD (pH = 7.4): 0.18012354
• Log P: 0.18012354
• Molar Refractivity: 16.2049 cm^3
• Polarizability: 6.1600957 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 75 °C(lit.); 75°C
• Flash Point: 44.6 °F; 7 °C; 7°C
• Density: 1.054; 1.054 g/mL at 25 °C(lit.)
• Refractive Index: 1.37; 1.3700; n20/D 1.37(lit.)

Safety Information

• Storage Warning: Highly Toxic/Flammable; LACHRYMATOR, TOXIC, FLAMMABLE
• European Hazard Symbols: Flammable (F); Highly toxic (T+)
• UN Number: 2929
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 1
• Risk Statements: 11-26/27/28
• Safety Statements: 16-36-45
• TSCA Listed: false
• GHS Pictograms: GHS02; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H300-H310-H330
• GHS Precautionary statements: P210-P260-P264-P280-P284-P302 + P350
• 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 1
• Storage Temperature: 2-8°C

Product Information

• Purity: 98%; 99%
• Linear Formula: CH3COCH2F

DETAILS

MP Biomedicals - 05203837

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 115460

Packaging
1, 5 g in ampule