1-Bromo-3-methyl-5-(trifluoromethyl)benzene

Basic Information

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CAS Number

86845-28-5

Molecular Formula

C8H6BrF3

Molecular Weight

239.03 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

178.7℃ at 760 mmHg

SMILES

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Cc1cc(Br)cc(c1)C(F)(F)F

InChI

InChI=1S/C8H6BrF3/c1-5-2-6(8(10,11)12)4-7(9)3-5/h2-4H,1H3

InChIKey

ZDAIYLXHTGIUGY-UHFFFAOYSA-N

LogP

3.77632

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

155

Synonyms & References

English

3-Bromo-5-(trifluoromethyl)toluene
1-bromo-3-methyl-5-(trifluoromethyl)benzene
3-Bromo-5-methylbenzotrifluoride
Benzene,1-bromo-3-methyl-5-(trifluoromethyl)-
C8H6BrF3
1-Bromo-3-methyl-5-trifluoromethylbenzene
1-bromo-3-methyl-5-trifluoromethyl-benzene
ZDAIYLXHTGIUGY-UHFFFAOYSA-N
PC6188
SBB099020
DT2075
AS02041
AM62551
FCH1321183
CM13216
3-methyl-5-(trifluoromethyl)bromobenzene

MDL Number

MFCD01631585

Customs Code

2903999090

FAQ

What regulatory guidelines apply to 1-Bromo-3-methyl-5-(trifluoromethyl)benzene (CAS: 86845-28-5)?

1-Bromo-3-methyl-5-(trifluoromethyl)benzene (CAS: 86845-28-5) is regulated under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), which requires hazard communication including safety data sheets (SDS). It is also subject to the European Union’s Registration, Evaluation, Authorization and Restriction of Chemicals (REACH) regulations. In the United States, it may be regulated by the Environmental Protection Agency (EPA) and the Food and Drug Administration (FDA) depending on its intended use.

Are there alternatives to 1-Bromo-3-methyl-5-(trifluoromethyl)benzene in synthesis?

There are several alternatives to 1-Bromo-3-methyl-5-(trifluoromethyl)benzene in synthesis, such as bromination of other aromatic compounds like toluene or other methyl-substituted benzene derivatives. Common alternative reagents include bromine, N-bromosuccinimide (NBS), or other halogenating agents, depending on the desired product and synthesis conditions.

What is the market or research trend for 1-Bromo-3-methyl-5-(trifluoromethyl)benzene?

The market for 1-Bromo-3-methyl-5-(trifluoromethyl)benzene is driven by its use in pharmaceuticals and specialty chemicals. Research trends indicate increasing interest in its application in medicinal chemistry due to its unique substituents, making it a valuable intermediate for drug development. Additionally, there is ongoing exploration of its use in advanced materials and electronic applications.

How should waste containing 1-Bromo-3-methyl-5-(trifluoromethyl)benzene be handled?

Waste containing 1-Bromo-3-methyl-5-(trifluoromethyl)benzene should be collected in appropriate, leak-proof containers and stored in a secure, well-ventilated area. Proper disposal should involve incineration or professional waste disposal services that are certified for hazardous chemical waste. Environmental protection precautions include ensuring safety measures are in place to prevent exposure and contamination of soil and water sources.