Methyl 5-bromo-2-(trifluoromethyl)benzoate

Basic Information

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CAS Number

842136-32-7

Molecular Formula

C9H6BrF3O2

Molecular Weight

283.04 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

SMILES

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O=C(OC)C1=CC(Br)=CC=C1C(F)(F)F

InChI

InChI=1S/C9H6BrF3O2/c1-15-8(14)6-4-5(10)2-3-7(6)9(11,12)13/h2-4H,1H3

InChIKey

NAYMMKZHAIWOSK-UHFFFAOYSA-N

LogP

3.254500000000001

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Synonyms & References

English

Methyl 5-bromo-2-(trifluoromethyl)benzoate
Benzoic acid,5-bromo-2-(trifluoromethyl)-,methyl ester
METHYL 5-BROMO-2-TRIFLUOROMETHYLBENZOATE
methyl 5-bromo-2-(trifluoromethyl)benzoate

MDL Number

MFCD14697999

FAQ

What is Methyl 5-bromo-2-(trifluoromethyl)benzoate (CAS: 842136-32-7)?

Methyl 5-bromo-2-(trifluoromethyl)benzoate is an organic compound with the CAS number 842136-32-7. It is a derivative of benzoic acid with a 2-(trifluoromethyl)benzoyl group and a bromomethyl substituent. This compound has a molecular formula of C9H5BrF3O2 and is used in various applications due to its chemical properties.

What are the main uses of Methyl 5-bromo-2-(trifluoromethyl)benzoate (CAS: 842136-32-7)?

Methyl 5-bromo-2-(trifluoromethyl)benzoate (CAS: 842136-32-7) is primarily used in the pharmaceutical industry as an intermediate in the synthesis of other compounds. It is also utilized in research for its chemical reactivity and stability.

Is Methyl 5-bromo-2-(trifluoromethyl)benzoate (CAS: 842136-32-7) safe?

Methyl 5-bromo-2-(trifluoromethyl)benzoate (CAS: 842136-32-7) should be handled with caution due to its chemical properties. It is classified as a hazardous substance and requires appropriate safety measures, including the use of personal protective equipment (PPE).

How should Methyl 5-bromo-2-(trifluoromethyl)benzoate (CAS: 842136-32-7) be stored?

Methyl 5-bromo-2-(trifluoromethyl)benzoate (CAS: 842136-32-7) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container and stored under inert gas to prevent oxidation. Proper ventilation is also essential for safety.