3-(2-Bromo-5-(trifluoromethyl)phenyl)propanoic acid

Basic Information

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CAS Number

869725-56-4

Molecular Formula

C10H8BrF3O2

Molecular Weight

297.07 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

330.6°C at 760 mmHg

Density

1.622

Flash Point

153.7°C

Refractive Index

1.509

SMILES

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

InChI

InChI=1S/C10H8BrF3O2/c11-8-3-2-7(10(12,13)14)5-6(8)1-4-9(15)16/h2-3,5H,1,4H2,(H,15,16)

InChIKey

XPFCWQNQAZJJIE-UHFFFAOYSA-N

LogP

3.485100000000001

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

255

Synonyms & References

English

3-(2-Bromo-5-(trifluoromethyl)phenyl)propanoic acid
2-[2-bromo-5-(trifluoromethyl)phenyl]propanoic acid
CS-0239659
AKOS015890934
DB-076794
2-bromo-5-(trifluoromethyl)benzenepropanoic acid
3-[2-bromo-5-(trifluoromethyl)phenyl]propanoic acid
MFCD09839597
3-(2-bromo-5-(trifluoromethyl)phenyl)propanoicacid
SCHEMBL3681324
61598-69-4
869725-56-4
DTXSID70647527
3-(2-bromo-5-(trifluoromethyl)phenyl)propanoic acid
EN300-216975
Benzenepropanoic acid, 2-bromo-5-(trifluoromethyl)-

MDL Number

MFCD09839597

FAQ

What is 3-(2-Bromo-5-(trifluoromethyl)phenyl)propanoic acid (CAS: 869725-56-4)?

3-(2-Bromo-5-(trifluoromethyl)phenyl)propanoic acid is a chemical compound with the CAS number 869725-56-4. It is an organic compound with the molecular formula C9H5BrF3NO2. This compound is a white to off-white crystalline solid with a melting point of approximately 210-212°C. It is insoluble in water but soluble in organic solvents.

What are the main uses of 3-(2-Bromo-5-(trifluoromethyl)phenyl)propanoic acid (CAS: 869725-56-4)?

3-(2-Bromo-5-(trifluoromethyl)phenyl)propanoic acid is primarily used in pharmaceuticals for the synthesis of medicinal compounds. It also finds applications in research, particularly in the development of new drugs and in medicinal chemistry. Additionally, it can be utilized in the synthesis of other organic compounds.

Is 3-(2-Bromo-5-(trifluoromethyl)phenyl)propanoic acid (CAS: 869725-56-4) safe?

3-(2-Bromo-5-(trifluoromethyl)phenyl)propanoic acid is generally considered safe when handled with appropriate precautions. However, it is a hazardous chemical and should be used in a well-ventilated area, away from sources of ignition. It is important to follow safety guidelines, wear protective equipment, and avoid inhalation or contact with skin and eyes. Storage in a cool, dry place is recommended.

How should 3-(2-Bromo-5-(trifluoromethyl)phenyl)propanoic acid (CAS: 869725-56-4) be stored?

3-(2-Bromo-5-(trifluoromethyl)phenyl)propanoic acid should be stored in a cool, dry place, away from direct sunlight and heat sources. The compound should be kept in a tightly sealed container to prevent moisture absorption. It is also advisable to store it in a well-ventilated area to avoid the risk of ignition. The container should be clearly labeled with the CAS number and appropriate safety information.