3-Bromo-4-(trifluoromethoxy)benzoic acid

Basic Information

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CAS Number

85373-96-2

Molecular Formula

C8H4BrF3O3

Molecular Weight

285.02 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

InChI

InChI=1S/C8H4BrF3O3/c9-5-3-4(7(13)14)1-2-6(5)15-8(10,11)12/h1-3H,(H,13,14)

InChIKey

FZZJKGGHTKIIIJ-UHFFFAOYSA-N

LogP

3.0459000000000005

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Synonyms & References

English

3-Bromo-4-(trifluoromethoxy)benzoic acid
3-bromo-4-trifluoromethoxybenzoic acid
3-bromo-4-(trifluoromethoxy)benzoic acid

MDL Number

MFCD11110888

FAQ

What is 3-Bromo-4-(trifluoromethoxy)benzoic acid (CAS: 85373-96-2)?

3-Bromo-4-(trifluoromethoxy)benzoic acid (CAS: 85373-96-2) is a derivative of benzoic acid with a trifluoromethoxy group and a bromine atom substituent. It is a white or off-white crystalline solid with a high melting point and low solubility in water.

What are the main uses of 3-Bromo-4-(trifluoromethoxy)benzoic acid (CAS: 85373-96-2)?

3-Bromo-4-(trifluoromethoxy)benzoic acid is used in pharmaceutical research for screening and as a precursor in organic synthesis. It is also utilized in the development of new materials and as an intermediate in the synthesis of other organic compounds.

Is 3-Bromo-4-(trifluoromethoxy)benzoic acid (CAS: 85373-96-2) safe?

3-Bromo-4-(trifluoromethoxy)benzoic acid (CAS: 85373-96-2) is generally safe when handled with proper precautions. However, it is important to wear protective gloves and goggles, and to avoid skin and eye contact. Inhalation and ingestion can be hazardous, so working in a well-ventilated area is recommended.

How should 3-Bromo-4-(trifluoromethoxy)benzoic acid (CAS: 85373-96-2) be stored?

3-Bromo-4-(trifluoromethoxy)benzoic acid (CAS: 85373-96-2) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture absorption. The storage area should be well-ventilated and the container should be labeled clearly.