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Cas Database |
| Name |
4,4,4-Trifluorobutan-2-one |
EINECS | N/A |
| CAS No. | 2366-70-3 | Density | 1.166 g/cm3 |
| PSA | 17.07000 | LogP | 1.52780 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C4H5 F3 O | Boiling Point | 47.2 °C at 760 mmHg |
| Molecular Weight | 126.078 | Flash Point | °C |
| Transport Information | N/A | Appearance | solid or liquid |
| Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 
|
| Synonyms |
4,4,4-Trifluoro-2-butanone;a-(Trifluoromethyl)acetone;trifluoromethylacetone;3-Oxo-1,1,1-trifluorobutane;4,4,4-trifluorobutane-2-one;4,4,4-trifluoro-butan-2-one;4,4,4-Trifluor-2-butanon;4,4,4-Trifluor-butan-2-on; |
Article Data | 2 |
4,4,4-Trifluorobutan-2-one Chemical Properties
Molecule structure of 4,4,4-Trifluorobutan-2-one (CAS NO.2366-70-3) :
IUPAC Name: 4,4,4-trifluorobutan-2-one
Molecular Weight: 126.07711 g/mol
Molecular Formula: C4H5F3O
Density: 1.166 g/cm3
Boiling Point: 47.2 °C at 760 mmHg
Flash Point: 37 °C
Molar Volume: 108 cm3
Polarizability: 8.35*10-24 cm3
Surface Tension: 17.1 dyne/cm
Enthalpy of Vaporization: 29.09 kJ/mol
Vapour Pressure: 326 mmHg at 25 °C
XLogP3-AA: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 1
Tautomer Count: 3
Exact Mass: 126.029249
MonoIsotopic Mass: 126.029249
Topological Polar Surface Area: 17.1
Heavy Atom Count: 8
Complexity: 93.9
Canonical SMILES: CC(=O)CC(F)(F)F
InChI: InChI=1S/C4H5F3O/c1-3(8)2-4(5,6)7/h2H2,1H3
InChIKey of 4,4,4-Trifluorobutan-2-one (CAS NO.2366-70-3) : BTXXTMOWISPQSJ-UHFFFAOYSA-N
4,4,4-Trifluorobutan-2-one Safety Profile
Hazard Codes: 
Xi, 
F
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection
RIDADR: UN1224
Hazard Note: Irritant
HazardClass: 3
PackingGroup: III
4,4,4-Trifluorobutan-2-one Specification
4,4,4-Trifluorobutan-2-one (CAS NO.2366-70-3) is also called 4,4,4-Trifluoro-2-butanone ; Trifluorobutanone2 ; 4,4,4-Trifluorobutan-2-one 97% ; 4,4,4-Trifluorobut-2-one .
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