4,4,4-Trifluoro-3-oxobutyric acid supplier

Name
4,4,4-TRIFLUORO-3-OXO-BUTYRIC ACID
EINECS
CAS No. 400-36-2
Article Data6
CAS DataBase
Density 1.52g/cm³
Solubility
Melting Point
Formula C₄H₃ F₃ O₃
Boiling Point 189.633 °C at 760 mmHg
Molecular Weight 156.061
Flash Point 68.488 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Acetoaceticacid, 4,4,4-trifluoro- (8CI);Acetoacetic acid, g-trifluoro- (3CI);4,4,4-Trifluoro-3-oxobutyric acid;
PSA 54.37000
LogP 0.59250

4,4,4-Trifluoro-3-oxobutyric acid Specification

The 4,4,4-Trifluoro-3-oxobutyric acid with cas registry number of 400-36-2, is also named Acetoaceticacid, 4,4,4-trifluoro- (8CI) ; Acetoacetic acid, g-trifluoro- (3CI) .

Physical properties of 4,4,4-Trifluoro-3-oxobutyric acid : (1)ACD/LogP: 0.66; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 54.37 Å²; (11)Index of Refraction: 1.359; (12)Molar Refractivity: 22.632 cm³; (13)Molar Volume: 102.699 cm³; (14)Polarizability: 8.972×10^-24cm³; (15)Surface Tension: 30.714 dyne/cm; (16)Enthalpy of Vaporization: 46.943 kJ/mol; (17)Vapour Pressure: 0.25 mmHg at 25°C.

You can still convert the following datas into molecular structure:(1)SMILES:FC(F)(F)C(=O)CC(O)=O; (2)InChI:InChI=1/C4H3F3O3/c5-4(6,7)2(8)1-3(9)10/h1H2,(H,9,10); (3)InChIKey:LIQBKSIZAXKCPA-UHFFFAOYAG; (4)Std. InChI:InChI=1S/C4H3F3O3/c5-4(6,7)2(8)1-3(9)10/h1H2,(H,9,10); (5)Std. InChIKey:LIQBKSIZAXKCPA-UHFFFAOYSA-N .

Product Name

4,4,4-TRIFLUORO-3-OXO-BUTYRIC ACID

4,4,4-Trifluoro-3-oxobutyric acid Specification

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