Ethyl 3-(trifluoromethyl)benzoate

Basic Information

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CAS Number

76783-59-0

Molecular Formula

C10H9F3O2

Molecular Weight

218.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

28-29 ºC (0.19 Torr)

Density

1.230±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

75.3±19.6 ºC,

Refractive Index

1.446

SMILES

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CCOC(=O)C1=CC(=CC=C1)C(F)(F)F

InChI

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

InChIKey

MHNBTKIAHHECCQ-UHFFFAOYSA-N

LogP

2.882100000000001

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

225

Safety Information

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Hazard Statement

Hazard Class

Class FLAMMABLE Class FLAMMABLE

Synonyms & References

English

ethyl 3-trifluoromethylbenzoate
A917406
ethyl 3-trifluoromethyl-benzoate
MFCD00013560
FT-0613929
AKOS005257791
Z53834682
3-(trifluoromethyl)benzoic acid ethyl ester
ETHYL A,A,A-TRIFLUORO-M-TOLUATE
Ethyl-3-trifluoromethyl benzoate
SCHEMBL1994068
Benzoic acid, 3-(trifluoromethyl)-, ethyl ester
DTXSID40227592
ethyl-3-(trifluoromethyl)benzoate
DS-14312
CS-0042074
J-520821
Ethyl 3-(trifluoromethyl)benzoate
76783-59-0
3-Trifluoromethylbenzoic acid, ethyl ester
Ethyl m-trifluoromethylbenzoate
SY043334
3-(Trifluoromethyl)benzoic acid ethyl ester
Ethyl m-(trifluoromethyl)benzoate
MHNBTKIAHHECCQ-UHFFFAOYSA-N
KSC496O4J
WT1853
SBB095531
VZ26153
RP27105

MDL Number

MFCD00013560

Customs Code

2916399090

FAQ

What are the physical and chemical properties of Ethyl 3-(trifluoromethyl)benzoate (CAS: 76783-59-0)?

Ethyl 3-(trifluoromethyl)benzoate (CAS: 76783-59-0) is a white crystalline solid with a high melting point. Its molecular weight is approximately 231.14 g/mol. The compound is slightly soluble in water but has good solubility in organic solvents like ethanol and acetone. It is moderately reactive towards nucleophilic substitution, making it suitable for various synthetic transformations in organic chemistry.

How is Ethyl 3-(trifluoromethyl)benzoate (CAS: 76783-59-0) typically synthesized?

Ethyl 3-(trifluoromethyl)benzoate is typically synthesized via an esterification reaction between 3-(trifluoromethyl)benzoic acid and ethanol. The reaction is often catalyzed by an acid like sulfuric acid at elevated temperatures. The method provides good selectivity and yield, making it a common route for producing this compound in the laboratory and industry.

What industries use Ethyl 3-(trifluoromethyl)benzoate (CAS: 76783-59-0)?

Ethyl 3-(trifluoromethyl)benzoate (CAS: 76783-59-0) is used primarily in the pharmaceutical industry, where it serves as a precursor for the synthesis of various organic compounds. It is also utilized in the polymer industry for its potential to improve the mechanical properties of polymers. Additionally, it finds applications in the production of sensors and as a component in certain semiconductor processes.

What precautions should be taken when handling Ethyl 3-(trifluoromethyl)benzoate (CAS: 76783-59-0)?

When handling Ethyl 3-(trifluoromethyl)benzoate (CAS: 76783-59-0), it is essential to use appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Fume hoods should be used to minimize inhalation risks. Spills should be cleaned up immediately with the appropriate absorbent materials. Always consult the Safety Data Sheet (SDS) for detailed guidance on handling and storage procedures.