3-Oxo-3-(4-trifluoromethylphenyl)propanoicacid ethyl ester supplier

Name
3-OXO-3-(4-TRIFLUOROMETHYLPHENYL)PROPIONIC ACID ETHYL ESTER
EINECS
CAS No. 106263-53-0
Article Data29
CAS DataBase
Density 1.254 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₁F₃O₃
Boiling Point 294.3 °C at 760 mmHg
Molecular Weight 260.213
Flash Point 127.6 °C
Transport Information
Appearance
Safety
Risk Codes F:;
Molecular Structure
Hazard Symbols F
Synonyms Benzenepropanoic acid, b-oxo-4-(trifluoromethyl)-, ethyl ester;Ethyl 2-[4-(Trifluoromethyl)benzoyl]acetate;Ethyl 3-(4-trifluoromethylphenyl)-3-oxopropionate;Ethyl 3-oxo-3-[4-(trifluoromethyl)phenyl]propanoate;4-Cyano-2-fluorobenzaldehyde;Ethyl (4-trifluoromethylbenzoyl)acetate;
PSA 43.37000
LogP 2.84130

3-Oxo-3-(4-trifluoromethylphenyl)propanoicacid ethyl ester Specification

The 3-Oxo-3-(4-trifluoromethylphenyl)propanoicacid ethyl ester, with the CAS registry number 106263-53-0, is also known as 4-Bromo-3-hydroxybenzoic acid, methyl ester. It belongs to the product categories of Carbonyl Compounds; Esters. This chemical's molecular formula is C₁₂H₁₁F₃O₃ and molecular weight is 260.21. What's more, its systematic name is ethyl 3-oxo-3-[4-(trifluoromethyl)phenyl]propanoate. It should be sealed and stored in a cool, ventilated and dry place. It should be ensured that the workshop is well ventilated or equipped with exhaust devices. What's more, it should be protected from strong oxides.

Physical properties of 3-Oxo-3-(4-trifluoromethylphenyl)propanoicacid ethyl ester are: (1)ACD/LogP: 2.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.84; (4)ACD/LogD (pH 7.4): 2.83; (5)ACD/BCF (pH 5.5): 84.8; (6)ACD/BCF (pH 7.4): 83.12; (7)ACD/KOC (pH 5.5): 835.49; (8)ACD/KOC (pH 7.4): 818.86; (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: 1.461; (14)Molar Refractivity: 56.93 cm³; (15)Molar Volume: 207.4 cm³; (16)Surface Tension: 32 dyne/cm; (17)Density: 1.254 g/cm³; (18)Flash Point: 127.6 °C; (19)Enthalpy of Vaporization: 53.39 kJ/mol; (20)Boiling Point: 294.3 °C at 760 mmHg; (21)Vapour Pressure: 0.00164 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ccc(C(=O)CC(=O)OCC)cc1
(2)InChI: InChI=1S/C12H11F3O3/c1-2-18-11(17)7-10(16)8-3-5-9(6-4-8)12(13,14)15/h3-6H,2,7H2,1H3
(3)InChIKey: HVHVSJPSNQIPEM-UHFFFAOYSA-N

Product Name

3-OXO-3-(4-TRIFLUOROMETHYLPHENYL)PROPIONIC ACID ETHYL ESTER

3-Oxo-3-(4-trifluoromethylphenyl)propanoicacid ethyl ester Specification

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