1,3,5-Tribromo-2,4,6-trimethylbenzene

Basic Information

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CAS Number

608-72-0

Molecular Formula

C9H9Br3

Molecular Weight

356.88 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

225.5-226.5 ºC

Density

1.910±0.06 g/cm3 (20 ºC 760 Torr),

Solubility

Insuluble (3.1E-4 g/L) (25 ºC),

SMILES

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Cc1c(Br)c(C)c(c(c1Br)C)Br

InChI

InChI=1S/C9H9Br3/c1-4-7(10)5(2)9(12)6(3)8(4)11/h1-3H3

InChIKey

LTSSSVHTLGQZAQ-UHFFFAOYSA-N

LogP

4.899360000000002

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

113

Synonyms & References

English

Benzene,1,3,5-tribromo-2,4,6-trimethyl-
1,3,5-Tribromo-2,4,6-Trimethyl-Benzene
1,3,5-trimethyl-2,4,6-tribromobenzene
1,3,5-tris-bromomesitylene
2,4,6-tribromo-1,3,5-trimethylbenzene
2,4,6-tribromomesitylene
AC1L68OU
AC1Q25EM
AG-K-97884
AR-1B6287
CTK5B2382
KST-1B6230
NSC97124
1,3,5-Tribromotrimethylbenzene
1,3,5-Trisbromomesitylene
ar-Tribromomesitylene
1,3,5-tribromo-2,4,6-trimethylbenzene
AK543828
Tribrommesitylen
LTSSSVHTLGQZAQ-UHFFFAOYSA-N
TRA0015752
FCH1330439
2,4,6-三溴-1,3,5-三甲基苯

MDL Number

MFCD00155003

FAQ

What are the physical and chemical properties of 1,3,5-Tribromo-2,4,6-trimethylbenzene (CAS: 608-72-0)?

1,3,5-Tribromo-2,4,6-trimethylbenzene (CAS: 608-72-0) is a solid at room temperature with a crystalline form. Its molecular weight is approximately 336.06 g/mol. It has low solubility in water but is more soluble in organic solvents like benzene and toluene. Chemically, it is highly reactive due to the presence of bromine and methyl groups, making it susceptible to substitution reactions.

How is 1,3,5-Tribromo-2,4,6-trimethylbenzene (CAS: 608-72-0) typically synthesized?

1,3,5-Tribromo-2,4,6-trimethylbenzene is typically synthesized through the bromination of 1,3,5-trimethylbenzene in the presence of a Lewis acid catalyst, such as aluminum bromide. The reaction involves the addition of bromine across the aromatic ring, followed by a series of steps to ensure high selectivity and yield.

What industries use 1,3,5-Tribromo-2,4,6-trimethylbenzene (CAS: 608-72-0)?

1,3,5-Tribromo-2,4,6-trimethylbenzene (CAS: 608-72-0) is used in the pharmaceutical industry for the synthesis of certain drug intermediates. It also finds applications in the polymer industry as a flame retardant additive. Additionally, it is used in the production of sensors and as a precursor in the semiconductor industry.

What precautions should be taken when handling 1,3,5-Tribromo-2,4,6-trimethylbenzene (CAS: 608-72-0)?

When handling 1,3,5-Tribromo-2,4,6-trimethylbenzene (CAS: 608-72-0), appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. The reaction should be conducted in a well-ventilated area or a fume hood. Spills should be handled by professional chemical spill response teams, and the Material Safety Data Sheet (MSDS) or Safety Data Sheet (SDS) should be consulted for detailed safety information.