4-Bromo-1-chloro-2-methylbenzene

Basic Information

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CAS Number

54932-72-8

Molecular Formula

C7H6BrCl

Molecular Weight

205.48 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

93°C/12mmHg

Density

1.55 g/mL at 25 °C

Refractive Index

n20/D 1.575(lit.)

SMILES

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CC1=C(C=CC(=C1)Br)Cl

InChI

InChI=1S/C7H6BrCl/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3

InChIKey

OZFQMHJKAODEON-UHFFFAOYSA-N

LogP

3.410920000000001

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

94.9

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

Benzene, 4-bromo-1-chloro-2-methyl-
5-Bromo-2-chlorotoluene, 98%
5-Bromo-2-chlorotoluene
2-Chloro-5-bromotoluene
AC-25919
PS-8100
4-bromo-1-chloro-2-methyl-benzene
InChI=1/C7H6BrCl/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
OZFQMHJKAODEON-UHFFFAOYSA-
4-Bromo-1-chloro-2-methylbenzene #
SY020698
EN300-262801
SCHEMBL264070
B3002
FT-0620083
A19649
AKOS015834792
54932-72-8
AM61596
DTXSID30346140
4-Bromo-1-chloro-2-methylbenzene
MFCD00018503
CS-W002117
J-516910

MDL Number

MFCD00018503

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 4-Bromo-1-chloro-2-methylbenzene (CAS: 54932-72-8)?

4-Bromo-1-chloro-2-methylbenzene (CAS: 54932-72-8) is a yellow crystalline solid with a molecular weight of approximately 226.02 g/mol. It has a density of 1.32 g/cm³ and a melting point of 51-52°C. Soluble in organic solvents like ethanol and acetone, it is slightly soluble in water. Chemically, it is reactive towards nucleophiles and electrophiles, making it useful in various synthetic transformations and reactions.

How is 4-Bromo-1-chloro-2-methylbenzene (CAS: 54932-72-8) typically synthesized?

4-Bromo-1-chloro-2-methylbenzene (CAS: 54932-72-8) can be synthesized via the chlorination of 4-bromo-2-methylbenzene followed by bromination, or through bromination and subsequent chlorination of 2-methylbenzene. These reactions are typically carried out under anhydrous conditions using reagents like bromine and chlorine, with DBU as a catalyst. High selectivity and good yield can be achieved under optimized conditions.

What industries use 4-Bromo-1-chloro-2-methylbenzene (CAS: 54932-72-8)?

4-Bromo-1-chloro-2-methylbenzene (CAS: 54932-72-8) is utilized in the pharmaceutical industry for the synthesis of intermediates and drugs, and in the polymer industry for the production of specialty polymers. It is also used in the electronics sector as a precursor for organic semiconductors and in the sensor industry for the fabrication of chemical and biological sensors.

What precautions should be taken when handling 4-Bromo-1-chloro-2-methylbenzene (CAS: 54932-72-8)?

Proper handling of 4-Bromo-1-chloro-2-methylbenzene (CAS: 54932-72-8) requires the use of personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. In case of a spill, handle it carefully and follow the appropriate emergency procedures. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and storage procedures.