3-(3-Bromo-2-fluorophenyl)propanoic acid

Basic Information

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CAS Number

1261814-91-8

Molecular Formula

C9H8BrFO2

Molecular Weight

247.06 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

SMILES

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

InChI

InChI=1S/C9H8BrFO2/c10-7-3-1-2-6(9(7)11)4-5-8(12)13/h1-3H,4-5H2,(H,12,13)

InChIKey

QUTHCORUZVGKKY-UHFFFAOYSA-N

LogP

2.6054000000000013

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

187

Synonyms & References

English

3-(3-Bromo-2-fluorophenyl)propanoic acid
QUTHCORUZVGKKY-UHFFFAOYSA-N
Benzenepropanoic acid, 3-bromo-2-fluoro-
AB0065901
Z4053
ST24028283
DTXSID60729503
1261814-91-8
SY288484
SCHEMBL17605121
MFCD18391365
CS-D0128
Z1269150982
DB-099147
AKOS016011586
EN300-244603
A889607
AS-64410

MDL Number

MFCD18391365

FAQ

What regulatory guidelines apply to 3-(3-Bromo-2-fluorophenyl)propanoic acid (CAS: 1261814-91-8)?

3-(3-Bromo-2-fluorophenyl)propanoic acid (CAS: 1261814-91-8) falls under various regulatory guidelines. It should comply with the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in the European Union, and FDA/EPA guidelines for handling and disposal. Manufacturers must ensure proper labeling and documentation according to these standards.

Are there alternatives to 3-(3-Bromo-2-fluorophenyl)propanoic acid (CAS: 1261814-91-8) in synthesis?

Several alternatives can be used in the synthesis of 3-(3-Bromo-2-fluorophenyl)propanoic acid. Common substitutes include 3-(2-Fluorophenyl)propanoic acid and 3-(3-Chloro-2-fluorophenyl)propanoic acid. Other reagents like bromoiodomethane or trifluoromethyl bromide can also serve as alternatives for bromination steps.

What is the market or research trend for 3-(3-Bromo-2-fluorophenyl)propanoic acid (CAS: 1261814-91-8)?

The market for 3-(3-Bromo-2-fluorophenyl)propanoic acid (CAS: 1261814-91-8) is driven by its use in pharmaceuticals and agrochemicals. Recent research trends focus on its application in developing new therapeutic agents and pesticides. Additionally, there is growing interest in its synthesis and properties for use in medicinal chemistry.

How should waste containing 3-(3-Bromo-2-fluorophenyl)propanoic acid (CAS: 1261814-91-8) be handled?

Waste containing 3-(3-Bromo-2-fluorophenyl)propanoic acid (CAS: 1261814-91-8) should be collected in appropriate, leak-proof containers and disposed of through incineration or professional waste disposal services. Proper environmental protection measures, including containment and neutralization of hazardous components, are essential to prevent environmental contamination. Compliance with local and international regulations is crucial.