CAS 76783-59-0

Benzoic acid, 3-(trifluoromethyl)-, ethyl ester

Description:

Benzoic acid, 3-(trifluoromethyl)-, ethyl ester, also known by its CAS number 76783-59-0, is an organic compound characterized by the presence of a benzoic acid moiety with a trifluoromethyl group at the meta position and an ethyl ester functional group. This compound typically appears as a colorless to pale yellow liquid with a distinctive aromatic odor. It is soluble in organic solvents such as ethanol and ether but has limited solubility in water due to its hydrophobic characteristics. The trifluoromethyl group enhances the compound's lipophilicity and can influence its reactivity and biological activity. Benzoic acid derivatives are often utilized in various applications, including as preservatives, flavoring agents, and intermediates in organic synthesis. The presence of the trifluoromethyl group may impart unique properties, such as increased stability and altered electronic characteristics, making it of interest in medicinal chemistry and materials science. Safety data should be consulted for handling and potential hazards associated with this compound.

Formula: C₁₀H₉F₃O₂

InChI: InChI=1S/C10H9F3O2/c1-2-15-9(14)7-4-3-5-8(6-7)10(11,12)13/h3-6H,2H2,1H3

InChI key: InChIKey=MHNBTKIAHHECCQ-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C1=CC(C(F)(F)F)=CC=C1

Synonyms:

• Benzoic acid, 3-(trifluoromethyl)-, ethyl ester
• Ethyl 3-(trifluoromethyl)benzoate
• Ethyl m-(trifluoromethyl)benzoate
• 3-(Trifluoromethyl)benzoic acid ethyl ester

Ethyl 3-(trifluoromethyl)benzoate

CAS: 76783-59-0

Formula: C₁₀H₉F₃O₂

Purity: 97%

Color and Shape: Liquid

Molecular weight: 218.1725

Ref: IN-DA003Q6A

Ethyl 3-(trifluoromethyl)benzoate

CAS: 76783-59-0

Ethyl 3-(trifluoromethyl)benzoate

Formula: C₁₀H₉F₃O₂

Purity: 97%

Color and Shape: colourless liquid

Molecular weight: 218.17g/mol

Ref: 54-PC3287

Ethyl 3-(trifluoromethyl)benzoate

CAS: 76783-59-0

Formula: C₁₀H₉F₃O₂

Purity: 97%

Color and Shape: Liquid

Molecular weight: 218.175

Ref: 10-F006146

Ethyl 3-(trifluoromethyl)benzoate

CAS: 76783-59-0

Ethyl 3-(trifluoromethyl)benzoate is an organic compound that belongs to the class of graphs. It has a chemical formula of C9H7F3O2 and molecular weight of 179.1 g/mol. The graph contains 4 atoms, with one atom in the center, 2 atoms on each side, and 1 atom at each end. The graph has a connectivity index of 0.5, meaning that it has no bonds between the atoms. This graph was calculated using the theory of atomic orbitals, which states that there are 8 electrons in this graph and they are placed around its nucleus in 4 different orbits or shells. There is a total of 6 atomic orbitals: sigma (σ), pi (π), lambda (λ), xi (ξ), eta (η) and omega (ω). These atomic orbitals have been weighted by their corresponding electron density to calculate the total electron density for this molecule. The weighting

Formula: C₁₀H₉F₃O₂

Purity: Min. 95%

Molecular weight: 218.17 g/mol

Ref: 3D-FE105569