trifluoroacetyl chloride

• ChemBase ID: 111470
• Molecular Formular: C2ClF3O
• Molecular Mass: 132.4690096
• Monoisotopic Mass: 131.95897696
• SMILES: FC(F)(F)C(=O)Cl
• Canonical SMILES: ClC(=O)C(F)(F)F
• InChI: InChI=1S/C2ClF3O/c3-1(7)2(4,5)6
• InChIKey: PNQBEPDZQUOCNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trifluoroacetyl chloride
• IUPAC Traditional name: trifluoroacetyl chloride
• Synonyms: TRIFLUOROACETYL CHLORIDE; Trifluoroacetyl chloride; 三氟乙酰氯

Database IDs

• CAS Number: 354-32-5
• EC Number: 206-556-2
• MDL Number: MFCD00039307
• Beilstein Number: 1098994
• PubChem SID: 162103086; 24858070
• PubChem CID: 61106

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.4423126
• LogD (pH = 7.4): 1.4423126
• Log P: 1.4423126
• Molar Refractivity: 17.5124 cm^3
• Polarizability: 6.5641785 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -146 °C(lit.); -146°C
• Boiling Point: -27 °C(lit.); -27°C
• Vapor Density: 4.6 (vs air)

Safety Information

• RTECS: AO7150000
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 3057
• German water hazard class: 2
• Hazard Class: 2.3
• Risk Statements: 14-35-37; R:10
• Safety Statements: 26-36/37/39-45; S:9-16-29
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H314-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 3057 2.3
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: 98%
• Linear Formula: CF3COCl

DETAILS

Sigma Aldrich - 300004

Packaging
100, 800 g in Sure-Pac™
Recommended products
Stainless steel hose adapter Z146838 or stainless steel body mini gas regulator Z513547 is recommended.