Ethyl 2,4,5-trifluorobenzoylacetate supplier

Name
Ethyl 2,4,5-trifluorobenzoylacetate
EINECS
CAS No. 98349-24-7
Article Data18
CAS DataBase
Density 1.319 g/cm³
Solubility
Melting Point 66-68°C
Formula C₁₁H₉F₃O₃
Boiling Point 283.1 °C at 760 mmHg
Molecular Weight 246.186
Flash Point 121.2 °C
Transport Information UN2811 6.1
Appearance off-white crystall powder
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols C; Xi; T
Synonyms 2,4,5-trifluoro-β-oxobenzenepropanoic acid ethylester;3-Oxo-3-(2,4,5-trifluorophenyl)propionic acid ethyl ester;Ethyl2,4,5-Trifluoro-β-oxobenzenepropanoate;Ethyl 2,4,5-trifluorobenzoylacetate;Ethyl3-oxo-3-(2,4,5-trifluorophenyl)propanoate;ethyl 3-oxo-3-(2,4,5-trifluorophenyl)propanoate;Benzenepropanoic acid, 2,4,5-trifluoro-β-oxo-, ethyl ester;
PSA 43.37000
LogP 2.23980

Ethyl 2,4,5-trifluorobenzoylacetate Specification

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. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1cc(C(=O)CC(=O)OCC)c(F)cc1F
(2)InChI: InChI=1/C11H9F3O3/c1-2-17-11(16)5-10(15)6-3-8(13)9(14)4-7(6)12/h3-4H,2,5H2,1H3
(3)InChIKey: OTCJYVJORKMTHX-UHFFFAOYAZ

Product Name

Ethyl 2,4,5-trifluorobenzoylacetate

Ethyl 2,4,5-trifluorobenzoylacetate Specification

Related Products

Hot Products