1,1,1-Trifluoroacetone , 97% , 421-50-1

CAS NO.：421-50-1

Empirical Formula: C3H3F3O

Molecular Weight: 112.05

MDL number: MFCD00000423

EINECS: 207-005-9

PRODUCT Properties

• Melting point: -78 °C
• Boiling point: 22 °C(lit.)
• Density: 1.252 g/mL at 25 °C(lit.)
• vapor pressure: 13.62 psi ( 20 °C)
• refractive index: n20/D 1.3(lit.)
• Flash point: −23 °F
• storage temp.: 2-8°C
• solubility: Chloroform, Methanol
• form: Liquid
• color: Clear colorless
• Water Solubility: Miscible
• Sensitive: Lachrymatory
• BRN: 1748614
• Henry's Law Constant: 1.4×10⁰ mol/(m³Pa) at 25℃, Burkholder et al. (2019)
• Stability: Volatile
• InChI: 1S/C3H3F3O/c1-2(7)3(4,5)6/h1H3
• InChIKey: FHUDAMLDXFJHJE-UHFFFAOYSA-N
• SMILES: CC(=O)C(F)(F)F
• CAS DataBase Reference: 421-50-1(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Propanone, 1,1,1-trifluoro-(421-50-1)
• EPA Substance Registry System: 2-Propanone, 1,1,1-trifluoro- (421-50-1)

Description and Uses

1,1,1-Trifluoroacetone is used as intermediate of bioactive substance and antihypertensive drug, and as effective synthetic building block and trifluoromethyl reaction reagent.

Safety

• Symbol(GHS): GHS02,GHS05
• Signal word: Danger
• Hazard statements: H224-H314-H318-H412
• Precautionary statements: P210-P233-P240-P241-P242-P243-P280-P260-P264-P273-P303+P361+P353-P370+P378-P301+P330+P331-P363-P304+P340-P310-P305+P351+P338-P403+P235-P405-P501
• PPE: Eyeshields, Faceshields, Gloves
• Hazard Codes: F+,Xi,F
• Risk Statements: 12-36/37/38
• Safety Statements: 16-26-29-33-36-7/9-9-37/39-39
• RIDADR: UN 1993 3/PG 1
• WGK Germany: 3
• F: 19
• Hazard Note: Flammable/Lachrymatory
• TSCA: TSCA listed
• HazardClass: 3
• PackingGroup: I
• HS Code: 29147090
• Storage Class: 3 - Flammable liquids
• Hazard Classifications: Aquatic Chronic 3; Eye Dam. 1; Flam. Liq. 1; Skin Corr. 1B
• REACH Registrations: Active
• Limited Quantities: 0.5 L (0.1 gallon)
• Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (300g or 300ml)