Ethyl 4-bromo-2-(trifluoromethoxy)benzoate

Basic Information

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CAS Number

933785-18-3

Molecular Formula

C10H8BrF3O3

Molecular Weight

299.04 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

265.9℃ at 760 mmHg

Density

1.626

Flash Point

115℃

SMILES

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COC(=O)c1ccc(Br)cc1OC(F)(F)F

InChI

InChI=1S/C10H8BrF3O3/c1-2-16-9(15)7-4-3-6(11)5-8(7)17-10(12,13)14/h3-5H,2H2,1H3

InChIKey

QDAATKCEXCYIPG-UHFFFAOYSA-N

LogP

3.1343000000000005

Topological Polar Surface Area

35.53 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

270

Synonyms & References

English

Ethyl 4-bromo-2-(trifluoromethoxy)benzoate
4-Bromo-2-(trifluoromethoxy)benzoic acid methyl ester
Methyl 4-bromo-2-(trifluoromethoxy)benzoate
Ethyl4-bromo-2-(trifluoromethoxy)benzoate
STL554727
BBL100933
5836AC
TF10670
BC004379
AX8158788
4-BROMO-2-(TRIFLUOROMETHOXY)BENZOIC ACID ETHYL ESTER
Methyl 4-bromo-2-(trifluoromethoxy)benzoate (ACI)
methyl 4-bromo-2-(trifluoromethoxy)benzoate

MDL Number

MFCD12761592

Customs Code

2918990090

FAQ

What are the physical and chemical properties of Ethyl 4-bromo-2-(trifluoromethoxy)benzoate (CAS: 933785-18-3)?

Ethyl 4-bromo-2-(trifluoromethoxy)benzoate (CAS: 933785-18-3) is a crystalline compound with a molecular weight of approximately 344.03 g/mol. It has low water solubility and good solubility in organic solvents like dichloromethane and acetone. It is moderately reactive towards nucleophiles and can undergo bromination reactions. This compound is stable under normal conditions but requires storage in a cool, dry place to prevent decomposition.

How is Ethyl 4-bromo-2-(trifluoromethoxy)benzoate (CAS: 933785-18-3) typically synthesized?

Ethyl 4-bromo-2-(trifluoromethoxy)benzoate (CAS: 933785-18-3) is commonly synthesized via a Friedel-Crafts reaction using 2-(trifluoromethoxy)benzoic acid and bromine in the presence of a Lewis acid catalyst like aluminum trichloride. The reaction is highly selective and yields a high percentage of the desired product. Proper handling of bromine and Lewis acids is essential to ensure a safe and efficient synthesis process.

What industries use Ethyl 4-bromo-2-(trifluoromethoxy)benzoate (CAS: 933785-18-3)?

Ethyl 4-bromo-2-(trifluoromethoxy)benzoate (CAS: 933785-18-3) finds applications in the pharmaceutical industry for the synthesis of certain drugs. It is also used in the polymer industry as a monomer or intermediate. Additionally, this compound can be used in the development of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling Ethyl 4-bromo-2-(trifluoromethoxy)benzoate (CAS: 933785-18-3)?

When handling Ethyl 4-bromo-2-(trifluoromethoxy)benzoate (CAS: 933785-18-3), it is essential to wear appropriate personal protective equipment (PPE), including gloves and safety glasses. This compound should be used in a well-ventilated area or a fume hood to prevent inhalation of vapors. In case of a spill, immediately clean up using appropriate methods and refer to the Safety Data Sheet (SDS) for further guidance. Storage should be in a cool, dry place away from sources of heat and ignition.