3-Bromo-4,5-dichlorotoluene
[CAS# 960305-14-0]

Identification

• Classification: Organic raw materials >> Aryl compounds
• Name: 3-Bromo-4,5-dichlorotoluene
• Molecular Formula: C₇H₅BrCl₂
• Molecular Weight: 239.92
• CAS Registry Number: 960305-14-0
• EC Number: 849-496-8
• SMILES: CC1=CC(=C(C(=C1)Br)Cl)Cl

Properties

• Density: 1.6±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.581, Calc.^*
• Boiling Point: 268.1±35.0 ºC (760 mmHg), Calc.^*
• Flash Point: 129.4±16.0 ºC, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.

Safety Data

• Hazard Symbols: GHS07 Warning
• Hazard Statements: H302-H315-H319-H335
• Precautionary Statements: P261-P305+P351+P338

Hazard Classification

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

Discovory and Applicatios

3-Bromo-4,5-dichlorotoluene is a halogenated aromatic compound with the chemical formula C7H5BrCl2. It consists of a toluene ring with three substituents: a bromine atom at the meta position and two chlorine atoms at the 4 and 5 positions. The compound is characterized by its distinctive chemical properties stemming from the presence of halogen atoms, which influence its reactivity and interactions. The discovery of 3-bromo-4,5-dichlorotoluene is linked to the broader study of halogenated aromatic compounds, which began in the late 19th century. These compounds were initially synthesized for their potential applications in dye chemistry and as intermediates in organic synthesis.

One of the primary applications of 3-bromo-4,5-dichlorotoluene is in the synthesis of various pharmaceuticals and agrochemicals. The halogenated nature of this compound allows for further substitution reactions, enabling the formation of complex molecular architectures that are crucial in drug development. Researchers utilize 3-bromo-4,5-dichlorotoluene as an intermediate in synthesizing biologically active compounds, including antifungal agents, herbicides, and insecticides. Its specific reactivity patterns make it suitable for developing targeted therapies in medicinal chemistry.

In addition to its role in pharmaceutical synthesis, 3-bromo-4,5-dichlorotoluene is utilized in the production of fine chemicals. The compound serves as a building block in the synthesis of dyes and pigments, contributing to the textile and coating industries. Halogenated aromatic compounds like 3-bromo-4,5-dichlorotoluene are essential in creating vibrant colors and improving the durability of dyes under various conditions. This application highlights the significance of such compounds in enhancing the aesthetic and functional properties of materials.

Furthermore, 3-bromo-4,5-dichlorotoluene plays a role in environmental chemistry, particularly in studies related to the degradation of halogenated organic compounds. Understanding the fate of such compounds in the environment is crucial for assessing their ecological impact. Researchers investigate the degradation pathways and potential toxicity of 3-bromo-4,5-dichlorotoluene and related compounds to evaluate their safety and environmental persistence. This knowledge is essential for regulatory purposes and developing strategies for mitigating the effects of halogenated pollutants.

The handling of 3-bromo-4,5-dichlorotoluene requires strict safety measures due to its potential hazards. Exposure to halogenated aromatic compounds can pose health risks, including skin irritation, respiratory issues, and potential long-term effects with chronic exposure. Therefore, proper laboratory practices, including the use of personal protective equipment and appropriate ventilation, are essential to minimize risks associated with its handling.

In conclusion, 3-bromo-4,5-dichlorotoluene is a significant chemical compound with diverse applications in pharmaceuticals, fine chemicals, and environmental studies. Its unique structural properties enable its use as a versatile building block in various chemical syntheses, contributing to advancements in multiple fields. As research continues to uncover new applications and safety considerations, the relevance of 3-bromo-4,5-dichlorotoluene in both industrial and scientific contexts remains strong.