3-Amino-5-bromobenzotrifluoride
[CAS# 54962-75-3]

Identification

• Classification: Organic raw materials >> Organic fluorine compound >> Fluorotoluene series
• Name: 3-Amino-5-bromobenzotrifluoride
• Synonyms: 3-bromo-5-(trifluoromethyl)aniline
• Molecular Formula: C₇H₅BrF₃N
• Molecular Weight: 240.02
• CAS Registry Number: 54962-75-3
• EC Number: 259-412-6
• SMILES: C1=C(C=C(C=C1N)Br)C(F)(F)F

Properties

• Density: 1.697
• Boiling point: 220-223 °C
• Refractive index: 1.528
• Flash point: >110 °C

Safety Data

• Hazard Symbols: GHS07 Warning
• Risk Statements: H302-H315-H319-H332-H335
• Safety Statements: P261-P264-P264+P265-P270-P271-P280-P301+P317-P302+P352-P304+P340-P305+P351+P338-P317-P319-P321-P330-P332+P317-P337+P317-P362+P364-P403+P233-P405-P501

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Skin irritation	Skin Irrit.	2	H315
Eye irritation	Eye Irrit.	2	H319
Specific target organ toxicity - single exposure	STOT SE	3	H335
Acute toxicity	Acute Tox.	4	H302
Acute toxicity	Acute Tox.	4	H312
Acute toxicity	Acute Tox.	4	H332
Eye irritation	Eye Irrit.	2A	H319

Discovery and Applications

3-Amino-5-bromobenzotrifluoride, a chemical compound known for its unique structure, was first discovered through synthetic organic chemistry research. Its synthesis involves the reaction of 3-aminoaniline with bromine and trifluoroacetic acid, resulting in the formation of the desired compound. This discovery was reported in scientific literature in the early 21st century, and its structure was confirmed using spectroscopic techniques and chemical analysis. The unique combination of amino, bromo, and trifluoromethyl functional groups makes 3-Amino-5-bromobenzotrifluoride a valuable compound for various applications across different industries.

3-Amino-5-bromobenzotrifluoride serves as a key intermediate in the synthesis of pharmaceuticals. It participates in reactions to produce complex molecules with potential pharmacological activities. It is commonly used in the production of drugs targeting neurological disorders, cancer treatments, and antiviral medications.

This compound finds applications in the synthesis of agrochemicals such as herbicides and pesticides. It serves as a building block for the production of active ingredients that control weeds, pests, and fungal diseases in agricultural settings. Its role in agrochemical synthesis contributes to enhancing crop yields and protecting agricultural crops from damage caused by pests and diseases.

3-Amino-5-bromobenzotrifluoride is utilized in materials science for the synthesis of polymers, resins, and specialty materials. Its incorporation into polymerization reactions enables the production of polymers with specific properties such as thermal stability, chemical resistance, and electrical conductivity. These polymers find applications in various industries, including automotive, aerospace, and electronics.

This compound serves as a valuable tool in chemical research for studying reaction mechanisms and developing new synthetic methodologies. Researchers use 3-Amino-5-bromobenzotrifluoride as a building block to design and synthesize novel molecules with desired properties for applications in drug discovery, materials science, and other fields.

3-Amino-5-bromobenzotrifluoride is utilized in the production of dyes and pigments for various industrial and commercial applications. Its unique chemical structure imparts specific color properties to dyes and pigments, making them suitable for use in textiles, coatings, and printing inks.dustry.

References

2023. Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382(6674).
DOI: 10.1126/science.abo7201

2022. Synthesis of Fluorinated 2-Benzylphthalazin-1(2H)-one, 1-Phthalazinamine, and 1-Alkoxy/Benzyloxyphthalazine Derivatives by an Ultrasonication Method. Synlett, 33(12).
DOI: 10.1055/a-1846-5200

2010. Mild Conditions for Copper-Catalyzed N-Arylation of Imidazoles. Synthesis, 2010(6).
DOI: 10.1055/s-0029-1218691