2-Bromo-1,3,5-trimethylbenzene

Basic Information

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CAS Number

576-83-0

Molecular Formula

C9H11Br

Molecular Weight

199.09 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

2 °C

Boiling Point

225°C

Water Solubility

Insoluble in water(20°C) .

Flash Point

96 ºC

Refractive Index

n20/D 1.552(lit.)

SMILES

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

InChI

InChI=1S/C9H11Br/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,1-3H3

InChIKey

RRTLQRYOJOSPEA-UHFFFAOYSA-N

LogP

3.374360000000002

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

99.3

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Sensitiveness

Light Sensitive

Synonyms & References

English

2,4,-6-trimethylbromobenzene
AKOS000202544
1-Bromo-2,4,6-trimethylbenzene
Mesityl bromide
FT-0611576
Q63399375
B1261
SCHEMBL156826
2,6-Trimethylbromobenzene
2,4,6-trimethyl-bromobenzene
BB 0258972
2,6-Trimethylphenyl bromide
MFCD00000073
2,4,6-trimethylphenylbromide
2-bromo-1,3,5-trimethyl-benzene
2-bromo-mesitylene
2-Bromomesitylene, 98%
NSC8064
AC-12889
CS-W007505
NSC-8064
EN300-19372
InChI=1/C9H11Br/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,1-3H
X99GJ54YDY
NS00033770
UNII-X99GJ54YDY
2,4,6-Trimethybromombenzene
2,4,6-trimethyl-1-bromobenzene
EINECS 209-405-9
Benzene, 2-bromo-1,3,5-trimethyl-
F0001-1501

MDL Number

MFCD00000073

Customs Code

29036990

FAQ

What are the physical and chemical properties of 2-Bromo-1,3,5-trimethylbenzene (CAS: 576-83-0)?

2-Bromo-1,3,5-trimethylbenzene (CAS: 576-83-0) is a crystalline solid with a molecular weight of approximately 212.08 g/mol. It is only slightly soluble in water but has good solubility in organic solvents such as benzene and toluene. Chemically, it is relatively stable but can undergo substitution reactions, particularly with nucleophiles at the bromine position.

How is 2-Bromo-1,3,5-trimethylbenzene (CAS: 576-83-0) typically synthesized?

2-Bromo-1,3,5-trimethylbenzene is typically synthesized via a bromination reaction of 1,3,5-trimethylbenzene using bromine in the presence of a suitable catalyst such as ferric bromide. The reaction yields a high percentage of the desired product with good selectivity.

What industries use 2-Bromo-1,3,5-trimethylbenzene (CAS: 576-83-0)?

2-Bromo-1,3,5-trimethylbenzene is used in the pharmaceutical industry for the synthesis of certain drugs, in the polymer industry for functionalizing polymers, and in the semiconductor industry as a precursor for doping materials. It is also utilized in the production of sensors and various chemical intermediates.

What precautions should be taken when handling 2-Bromo-1,3,5-trimethylbenzene (CAS: 576-83-0)?

When handling 2-Bromo-1,3,5-trimethylbenzene (CAS: 576-83-0), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Handle in a well-ventilated area or under a fume hood. In case of a spill, neutralize with an appropriate absorbent material and follow standard laboratory safety guidelines. Always consult the Safety Data Sheet (SDS) for detailed handling instructions.