4-Bromo-1-methyl-2-(trifluoromethyl)benzene

Basic Information

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CAS Number

86845-27-4

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

181.8±35.0 ºC (760 Torr),

Density

1.538±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

69.7±21.8 ºC,

Solubility

Insuluble (5.7E-3 g/L) (25 ºC),

Refractive Index

1.4870

SMILES

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Cc1ccc(Br)cc1C(F)(F)F

InChI

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

InChIKey

IZFVIEYHUOUPPH-UHFFFAOYSA-N

LogP

3.776320000000001

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

155

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

H227

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

H227 Combustible liquid
Flammable liquids

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

Benzene,4-bromo-1-methyl-2-(trifluoromethyl)-
5-Bromo-2-methylbenzotrifluoride
4-bromo-1-methyl-2-(trifluoromethyl)benzene
4-Methyl-3-(trifluoromethyl)bromobenzene
4-Bromo-2-(trifluoromethyl)toluene
3-bromo-6-methylbenzotrifluoride
4-methyl-3-(trifluoromethyl) bromobenzene
4-bromo-1-methyl-2-trifluoromethyl-benzene
Benzene, 4-bromo-1-methyl-2-(trifluoromethyl)-
KSC657E6D
IZFVIEYHUOUPPH-UHFFFAOYSA-N
SBB099021
A

MDL Number

MFCD01631587

Customs Code

2903999090

FAQ

What is 4-Bromo-1-methyl-2-(trifluoromethyl)benzene (CAS: 86845-27-4)?

4-Bromo-1-methyl-2-(trifluoromethyl)benzene (CAS: 86845-27-4) is a organic compound with the molecular formula C9H5BrF3. It is a colorless solid with a distinctive odor. This compound is used in the pharmaceutical and chemical industries for the synthesis of various pharmaceuticals and intermediates.

What are the main uses of 4-Bromo-1-methyl-2-(trifluoromethyl)benzene (CAS: 86845-27-4)?

4-Bromo-1-methyl-2-(trifluoromethyl)benzene (CAS: 86845-27-4) is primarily used in the pharmaceutical industry as an intermediate for synthesizing drugs. It is also used in the chemical industry for the production of other organic compounds and materials.

Is 4-Bromo-1-methyl-2-(trifluoromethyl)benzene (CAS: 86845-27-4) safe?

4-Bromo-1-methyl-2-(trifluoromethyl)benzene (CAS: 86845-27-4) is generally safe when handled with proper precautions. It is important to follow safety guidelines, such as wearing appropriate personal protective equipment (PPE) and ensuring adequate ventilation during handling. Immediate medical attention is required in the event of exposure or ingestion.

How should 4-Bromo-1-methyl-2-(trifluoromethyl)benzene (CAS: 86845-27-4) be stored?

4-Bromo-1-methyl-2-(trifluoromethyl)benzene (CAS: 86845-27-4) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent contamination and degradation. The storage area should have good ventilation to minimize the risk of fire and explosion. It is also crucial to store it away from incompatible materials such as oxidizers and acids.