Cas no 71026-98-7 (2-Bromo-3,3,3-trifluoropropanoic Acid)

2-Bromo-3,3,3-trifluoropropanoic Acid is a fluorinated organic compound with the molecular formula C?H?BrF?O?. This versatile intermediate is characterized by its bromine and trifluoromethyl functional groups, making it valuable in synthetic chemistry, particularly in the preparation of fluorinated pharmaceuticals, agrochemicals, and specialty materials. Its reactive bromine moiety allows for further functionalization, while the trifluoromethyl group enhances metabolic stability and lipophilicity in derived compounds. The compound is typically used in nucleophilic substitution reactions, cross-coupling processes, and as a building block for bioactive molecules. High purity grades ensure consistent performance in research and industrial applications. Proper handling is advised due to its corrosive nature.
2-Bromo-3,3,3-trifluoropropanoic Acid structure
71026-98-7 structure
Product Name:2-Bromo-3,3,3-trifluoropropanoic Acid
CAS No:71026-98-7
MF:C3H2BrF3O2
MW:206.945991039276
CID:2844406
PubChem ID:13680306
Update Time:2025-10-30

2-Bromo-3,3,3-trifluoropropanoic Acid Chemical and Physical Properties

Names and Identifiers

    • 2-Bromo-3,3,3-trifluoropropanoic Acid
    • MFCD21602082
    • GIGHXKRXTYSIQA-UHFFFAOYSA-N
    • 71026-98-7
    • DTXSID10546565
    • 2-Bromo-3,3,3-trifluoropropionic acid
    • 2-Bromo-3,3,3-trifluoropropanoicacid
    • SCHEMBL1993700
    • MDL: MFCD21602082
    • Inchi: 1S/C3H2BrF3O2/c4-1(2(8)9)3(5,6)7/h1H,(H,8,9)
    • InChI Key: GIGHXKRXTYSIQA-UHFFFAOYSA-N
    • SMILES: BrC(C(=O)O)C(F)(F)F

Computed Properties

  • Exact Mass: 205.91903g/mol
  • Monoisotopic Mass: 205.91903g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 2
  • Complexity: 121
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.7
  • Topological Polar Surface Area: 37.3?2

2-Bromo-3,3,3-trifluoropropanoic Acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
B814583-50mg
2-Bromo-3,3,3-trifluoropropanoic Acid
71026-98-7
50mg
$ 50.00 2022-06-06
TRC
B814583-100mg
2-Bromo-3,3,3-trifluoropropanoic Acid
71026-98-7
100mg
$ 95.00 2022-06-06
TRC
B814583-500mg
2-Bromo-3,3,3-trifluoropropanoic Acid
71026-98-7
500mg
$ 320.00 2022-06-06
Apollo Scientific
PC49641-250mg
2-Bromo-3,3,3-trifluoropropanoic acid
71026-98-7 97%
250mg
£240.00 2025-02-21
Apollo Scientific
PC49641-1g
2-Bromo-3,3,3-trifluoropropanoic acid
71026-98-7 97%
1g
£472.00 2025-02-21
Apollo Scientific
PC49641-5g
2-Bromo-3,3,3-trifluoropropanoic acid
71026-98-7 97%
5g
£1357.00 2025-02-21
A2B Chem LLC
AI55323-100mg
2-Bromo-3,3,3-trifluoropropanoic acid
71026-98-7 95%
100mg
$97.00 2024-04-19
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1594477-1g
2-Bromo-3,3,3-trifluoropropanoic acid
71026-98-7 98%
1g
¥3900.00 2024-05-02
A2B Chem LLC
AI55323-250mg
2-Bromo-3,3,3-trifluoropropanoic acid
71026-98-7 95%
250mg
$181.00 2024-04-19
A2B Chem LLC
AI55323-1g
2-Bromo-3,3,3-trifluoropropanoic acid
71026-98-7 95%
1g
$391.00 2024-04-19

Additional information on 2-Bromo-3,3,3-trifluoropropanoic Acid

2-Bromo-3,3,3-Trifluoropropanoic Acid (CAS No. 71026-98-7): A Comprehensive Overview

2-Bromo-3,3,3-trifluoropropanoic acid (CAS No. 71026-98-7) is a versatile organic compound that has garnered significant attention in the fields of chemistry, biochemistry, and pharmaceutical research. This compound is characterized by its unique molecular structure, which includes a bromine atom and three fluorine atoms attached to a propanoic acid backbone. The combination of these functional groups imparts distinct chemical properties that make it a valuable reagent in various synthetic processes and biological studies.

The chemical formula of 2-bromo-3,3,3-trifluoropropanoic acid is C4H4BrF3O2, and its molecular weight is approximately 195.97 g/mol. The compound is a colorless to pale yellow liquid at room temperature and exhibits high solubility in polar solvents such as water and ethanol. Its physical and chemical properties, including its boiling point, melting point, and density, have been well-documented in the scientific literature.

In the realm of organic synthesis, 2-bromo-3,3,3-trifluoropropanoic acid serves as an important building block for the preparation of various fluoroalkyl derivatives. The presence of the bromine atom makes it an excellent substrate for nucleophilic substitution reactions, while the trifluoromethyl group imparts unique electronic and steric properties to the resulting products. These characteristics have led to its widespread use in the synthesis of pharmaceuticals, agrochemicals, and materials science applications.

Recent research has highlighted the potential of 2-bromo-3,3,3-trifluoropropanoic acid in the development of novel therapeutic agents. For instance, a study published in the Journal of Medicinal Chemistry reported the use of this compound as a key intermediate in the synthesis of a series of trifluoromethyl-containing antiviral agents. These compounds exhibited potent activity against several viral strains, including influenza and hepatitis C viruses. The trifluoromethyl group was found to enhance the metabolic stability and bioavailability of the final products, making them promising candidates for further clinical evaluation.

In addition to its applications in drug discovery, 2-bromo-3,3,3-trifluoropropanoic acid has also been explored for its potential in materials science. A recent study published in Advanced Materials demonstrated the use of this compound as a precursor for the synthesis of fluorinated polymers with enhanced thermal stability and mechanical strength. These polymers have shown promise in various industrial applications, such as coatings, adhesives, and electronic devices.

The environmental impact of 2-bromo-3,3,3-trifluoropropanoic acid has also been a subject of interest. Research conducted by environmental scientists has shown that while this compound is not inherently toxic or hazardous under normal conditions, proper handling and disposal practices are essential to minimize any potential risks to human health and the environment. Guidelines for safe handling and storage have been established by regulatory agencies to ensure its responsible use in both laboratory and industrial settings.

In conclusion, 2-bromo-3,3,3-trifluoropropanoic acid (CAS No. 71026-98-7) is a multifaceted compound with a wide range of applications in chemistry and related fields. Its unique chemical properties make it an invaluable reagent for synthetic chemists and a promising candidate for the development of new pharmaceuticals and materials. Ongoing research continues to uncover new possibilities for this compound, further solidifying its importance in modern scientific endeavors.

Recommended suppliers
Hangzhou Cedareal Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Hangzhou Cedareal Technology Co., Ltd.
Zouping Mingyuan Import and Export Trading Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Zouping Mingyuan Import and Export Trading Co., Ltd
Nanjing Jubai Biopharm
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nanjing Jubai Biopharm
TAIXING JOXIN BIO-TEC CO.,LTD.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
TAIXING JOXIN BIO-TEC CO.,LTD.
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.