1-Bromo-2,3-dichloro-5-methylbenzene

Basic Information

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CAS Number

960305-14-0

Molecular Formula

C7H5BrCl2

Molecular Weight

239.93 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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Cc1cc(Cl)c(c(c1)Br)Cl

InChI

InChI=1S/C7H5BrCl2/c1-4-2-5(8)7(10)6(9)3-4/h2-3H,1H3

InChIKey

CEOHKQQUAYAZNB-UHFFFAOYSA-N

LogP

4.064320000000001

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

118

Synonyms & References

English

3-Bromo-4,5-dichlorotoluene
1-bromo-2,3-dichloro-5-methylbenzene
5-Bromo-3,4-dichlorotoluene
1-Bromo-2,3-dichloro-5-methylbenzene (ACI)

MDL Number

MFCD26792624

FAQ

What are the physical and chemical properties of 1-Bromo-2,3-dichloro-5-methylbenzene (CAS: 960305-14-0)?

1-Bromo-2,3-dichloro-5-methylbenzene is a crystalline solid with a molecular weight of approximately 244.01 g/mol. It is only slightly soluble in water but has good solubility in organic solvents such as ethanol and acetone. It is reactive towards nucleophiles and electrophiles, showing typical electrophilic aromatic substitution properties. The compound is not volatile and does not have a significant flammability risk under normal conditions.

How is 1-Bromo-2,3-dichloro-5-methylbenzene (CAS: 960305-14-0) typically synthesized?

1-Bromo-2,3-dichloro-5-methylbenzene can be synthesized by the chlorination of 1-methyl-2,3-dichlorobenzene followed by bromination. The reaction is typically carried out in the presence of a base like sodium hydroxide and a chlorinating or brominating agent. The yield and selectivity of the reaction can be optimized with the use of suitable catalysts and reaction conditions.

What industries use 1-Bromo-2,3-dichloro-5-methylbenzene (CAS: 960305-14-0)?

1-Bromo-2,3-dichloro-5-methylbenzene is used in the pharmaceutical industry as an intermediate for the synthesis of various drugs. It is also utilized in the production of dyes and pigments, as well as in the manufacturing of certain types of polymers and sensors. Additionally, it has applications in the electronics industry, particularly in the production of semiconductors.

What precautions should be taken when handling 1-Bromo-2,3-dichloro-5-methylbenzene (CAS: 960305-14-0)?

When handling 1-Bromo-2,3-dichloro-5-methylbenzene, it is essential to wear appropriate personal protective equipment (PPE), such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed instructions on handling and disposal procedures.