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CAS No.: | 360-95-2 |
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Name: | 4-(Trifluoroacetyl)morpholine |
Article Data: | 17 |
Molecular Structure: | |
Formula: | C6H8F3NO2 |
Molecular Weight: | 183.13 |
Synonyms: | Morpholine,4-(trifluoroacetyl)- (8CI,9CI);4-(a,a,a-Trifluoroacetyl)morpholine;N-Trifluoroacetylmorpholine; |
EINECS: | 675-540-9 |
Density: | 1.345 g/cm3 |
Boiling Point: | 271.2 °C at 760 mmHg |
Flash Point: | 117.8 °C |
Hazard Symbols: | Xi |
PSA: | 29.54000 |
LogP: | 0.34540 |
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The 4-(Trifluoroacetyl)morpholine with the CAS number 360-95-2 is also called Ethanone,2,2,2-trifluoro-1-(4-morpholinyl)-. The systematic name is 2,2,2-trifluoro-1-(morpholin-4-yl)ethanone. Its molecular formula is C6H8F3NO2. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the 4-(Trifluoroacetyl)morpholine are: (1)ACD/LogP: 1.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.2; (4)ACD/LogD (pH 7.4): 1.2; (5)ACD/BCF (pH 5.5): 4.8; (6)ACD/BCF (pH 7.4): 4.8; (7)ACD/KOC (pH 5.5): 106.99; (8)ACD/KOC (pH 7.4): 106.99; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.403; (14)Molar Refractivity: 33.28 cm3; (15)Molar Volume: 136.2 cm3; (16)Polarizability: 13.19×10-24cm3; (17)Surface Tension: 29 dyne/cm; (18)Enthalpy of Vaporization: 50.95 kJ/mol; (19)Vapour Pressure: 0.00653 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N1CCOCC1)C(F)(F)F
(2)InChI: InChI=1/C6H8F3NO2/c7-6(8,9)5(11)10-1-3-12-4-2-10/h1-4H2
(3)InChIKey: UTPCRKXZUFAUIB-UHFFFAOYAA