1,1,1-Trifluoroacetone, 95%

Description

CAS: 421-50-1 | C3H3F3O | 112.051 g/mol

1,1,1-Trifluoroacetone is used in a synthesis of 2-trifluoromethyl-7-azaindoles starting with 2,6-dihalopyridines. The derived chiral imine was used to prepare enantiopure α-trifluoromethyl alanines and diamines via a Strecker reaction followed by either nitrile hydrolysis or reduction. And also used as a useful molecule in synthesis reactions.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
1,1,1-Trifluoroacetone is used in a synthesis of 2-trifluoromethyl-7-azaindoles starting with 2,6-dihalopyridines. The derived chiral imine was used to prepare enantiopure α-trifluoromethyl alanines and diamines via a Strecker reaction followed by either nitrile hydrolysis or reduction. And also used as a useful molecule in synthesis reactions.

Solubility
Insoluble in water.

Notes
Air Sensitive. Store in cool, dry conditions in well sealed containers. Keep container tightly closed.

Specifications

Chemical Identifiers

• CAS: 421-50-1
• Molecular Formula: C3H3F3O
• Molecular Weight (g/mol): 112.051
• MDL Number: MFCD00000423
• InChI Key: FHUDAMLDXFJHJE-UHFFFAOYSA-N
• Synonym: 1,1,1-trifluoroacetone, trifluoroacetone, 1,1,1-trifluoro-2-propanone, methyl trifluoromethyl ketone, 2-propanone, 1,1,1-trifluoro, trifluoromethyl methyl ketone, 3,3,3-trifluoroacetone, 1,1,1,-trifluoroacetone, trifluoroketone, trifluoracetone
• PubChem CID: 9871
• IUPAC Name: 1,1,1-trifluoropropan-2-one
• SMILES: CC(=O)C(F)(F)F

• Melting Point: <-78°C
• Density: 1.252
• Boiling Point: 21°C to 24°C
• Flash Point: −31°C (−24°F)
• Odor: Chloroform-like
• Refractive Index: 1.3
• Quantity: 25 g
• UN Number: UN1993
• Beilstein: 1748614
• Sensitivity: Hygroscopic
• Solubility Information: Insoluble in water.
• Formula Weight: 112.05
• Percent Purity: 95%
• Chemical Name or Material: 1,1,1-Trifluoroacetone

Safety and Handling

Hazard Category	H224-H314-H335
Hazard Statement	GHS H Statement H224-H315-H319-H335 Extremely flammable liquid and vapour. Causes skin irritation. Causes serious eye irritation. May cause respiratory irritation.
Precautionary Statement	P210-P233-P235-P240-P241-P242-P243-P260-P264b-P271-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P370+P378q-P501c
DOTInformation	Transport Hazard Class: 3; Packing Group: I; Proper Shipping Name: FLAMMABLE LIQUIDS, N.O.S.
EINECSNumber	207-005-9
TSCA	Yes
Recommended Storage	Keep cold; Store under Nitrogen

SDS

RUO – Research Use Only