Customization: | Available |
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CAS No.: | 98349-24-7, No |
Formula: | C11h9f3o3, No |
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Ethyl 2,4,5-trifluorobenzoylacetate CAS: 98349-24-7
The Benzenepropanoic acid,2,4,5-trifluoro-β-oxo-,ethyl ester, with the CAS registry number 98349-24-7, has the systematic name of ethyl 3-oxo-3-(2,4,5-trifluorophenyl)propanoate. It is a kind of off-white crystall powder, and belongs to the following produc categories: Phenyls & Phenyl-Het; Benzoic acid; Phenyls & Phenyl-Het. And the molecular formula of the chemical is C11H9F3O3.
The characteristics of Benzenepropanoic acid,2,4,5-trifluoro-β-oxo-,ethyl ester are as followings: (1)ACD/LogP: 1.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.67; (4)ACD/LogD (pH 7.4): 1.67; (5)ACD/BCF (pH 5.5): 10.99; (6)ACD/BCF (pH 7.4): 10.97; (7)ACD/KOC (pH 5.5): 193.49; (8)ACD/KOC (pH 7.4): 193.23; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.468; (14)Molar Refractivity: 51.93 cm3; (15)Molar Volume: 186.5 cm3; (16)Polarizability: 20.58×10-24cm3; (17)Surface Tension: 36.2 dyne/cm; (18)Density: 1.319 g/cm3; (19)Flash Point: 121.2 °C; (20)Enthalpy of Vaporization: 52.2 kJ/mol; (21)Boiling Point: 283.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00322 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin.
Density | 1.319±0.06 g/cm3(Predicted) |
boiling point | 92 °C(Press: 0.08 Torr) |
Melting point | 66-68°C |
Flashpoint | NA |
Steam pressure | NA |
Molecular weight | 246.1826 |
Purity | 98% |
PSA | NA |
LogP | NA |
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Storage conditions | Inert atmosphere,2-8°C |
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