ChemicalBook--->CAS DataBase List--->421-50-1

421-50-1

421-50-1 Structure

421-50-1 Structure
IdentificationMore
[Name]

1,1,1-Trifluoroacetone
[CAS]

421-50-1
[Synonyms]

1,1,1-TRIFLUORO-2-PROPANONE
1,1,1-TRIFLUOROACETONE
TFA
TRIFLUOROACETONE
1,1,1-trifluoro-2-propanon
3,3,3-Trifluoroacetone
CH3COCF3
Methyl trifluoromethyl ketone
Trifluoromethyl methyl ketone
Trilfuoroacetone
TFK,1,1,1-Trifluoroaceto
1,1,1-Trifluoroacetone,95%
1,1,1-Trifluoroacetone, 98+%
1,1,1-Trifluroacetone
2-Propanone, 1,1,1-trifluoro-
1,1,1,-Trifluoroacetone 98%
1,1,1-trifluoro-propan-2-one
1,1,1-TRIFLUOROACETONE, 60% IN WATER
1,1,1-Trifluoroacetone (TFK)
[EINECS(EC#)]

207-005-9
[Molecular Formula]

C3H3F3O
[MDL Number]

MFCD00000423
[Molecular Weight]

112.05
[MOL File]

421-50-1.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR COLOURLESS LIQUID
[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.)
[Fp ]

−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]

421-50-1(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
[Signal word ]

Danger
[Hazard statements ]

H224-H315-H319-H335
[Precautionary statements ]

P210-P302+P352-P305+P351+P338-P403+P233
[Hazard Codes ]

F+,Xi,F
[Risk Statements ]

R12:Extremely Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S29:Do not empty into drains .
S33:Take precautionary measures against static discharges .
S36:Wear suitable protective clothing .
S7/9:Keep container tightly closed and in a well-ventilated place .
S9:Keep container in a well-ventilated place .
S37/39:Wear suitable gloves and eye/face protection .
[RIDADR ]

UN 1993 3/PG 1
[WGK Germany ]

3
[F ]

19
[Hazard Note ]

Flammable/Lachrymatory
[TSCA ]

T
[REACH Registrations]

Active
[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
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

Hexafluoroacetylacetone-->3-Thiophenecarboxylic acid, 2-amino-4-(trifluoromethyl)-, ethyl ester-->4-Amino-2-(trifluoromethyl)quinoline-->trifluoromethylglyoxal-bis(guanylhydrazone)-->2-(Trifluoromethyl)quinoline-4-carbaldehyde-->2-Methyl-4-trifluoromethyl-nicotinic acid-->Butanoic acid, 4,4,4-trifluoro-2,3-dihydroxy-3-methyl--->2-(Trifluoromethyl)quinoline-4-carboxylic acid-->Ethyl 3-hydroxy-3-methyl-4,4,4-trifluorobutyrate-->2-Butenoic acid, 4,4,4-trifluoro-3-methyl-, methyl ester-->1,1,1-trifluoro-4-morpholin-4-yl-3-(morpholin-4-ylmethyl)butane-2,2-di ol-->1,1,1,5,5,6,6,6-Octafluoro-2,4-hexanedione
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1,1,1-Trifluoro-2-propanone(421-50-1).msds
Hazard InformationBack Directory
[Chemical Properties]

1,1,1-Trifluoroacetone is CLEAR COLOURLESS LIQUID
[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.
Spectrum DetailBack Directory
[Spectrum Detail]

1,1,1-Trifluoroacetone(421-50-1)MS
1,1,1-Trifluoroacetone(421-50-1)1HNMR
1,1,1-Trifluoroacetone(421-50-1)IR1
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1,1,1-Trifluoroacetone, 98+%(421-50-1)
[Alfa Aesar]

1,1,1-Trifluoroacetone, 95%(421-50-1)
[Sigma Aldrich]

421-50-1(sigmaaldrich)
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