1,3-Dichloro-2-fluoro-5-(trifluoromethyl)benzene

Basic Information

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CAS Number

77227-81-7

Molecular Formula

C7H2Cl2F4

Molecular Weight

232.99 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

166-168 °C

Density

1.555 g/mL at 25 °C

Refractive Index

n20/D 1.462(lit.)

SMILES

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C1=C(C=C(C(=C1Cl)F)Cl)C(F)(F)F

InChI

InChI=1S/C7H2Cl2F4/c8-4-1-3(7(11,12)13)2-5(9)6(4)10/h1-2H

InChIKey

BWQFQKZDLBJZAW-UHFFFAOYSA-N

LogP

4.151300000000001

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

170

Safety Information

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GHS Hazard Pictograms

H301

H318

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H318 Causes serious eye damage
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

InChI=1/C7H2Cl2F4/c8-4-1-3(7(11,12)13)2-5(9)6(4)10/h1-2
3,5-Dichloro-4-fluorobenzotrifluoride
FT-0614540
1,3-Dichloro-2-fluoro-5-(trifluoromethyl)benzene;1,3-Dichloro-2-fluoro-5-(trifluoromethyl)benzene
77227-81-7
1,3-bis(chloranyl)-2-fluoranyl-5-(trifluoromethyl)benzene
SCHEMBL668872
3,5-dichloro-4-fluoro-benzotrifluoride
AM62097
3,5-Dichloro-4-fluorobenzotrifluoride, 98%
DTXSID70227969
AC-4132
A9779
A839007
3,5-dichloro-4-flurobenzotriflouride
J-503889
MFCD00068183
AKOS015888593
Benzene, 1,3-dichloro-2-fluoro-5-(trifluoromethyl)-
1,3-dichloro-2-fluoro-5-(trifluoromethyl)benzene
3,5-dichloro-4-fluorobenzotriflouride
1,3-Dichloro-2-fluoro-5-(trifluoromethyl)benzene
3,5-DICHLORO-ALPHA,ALPHA,ALPHA-4-TETRAFLUOROTOLUENE
3,5-dichloro-4-fluoro-alpha,alpha,alpha-trifluorotoluene
1,3-Dichloro-2-fluoro-5-(trifluoromethyl)-benzene
3,5-Dichloro-4-fluoro-alpha,alpha,alpha-trifluorotoluene

MDL Number

MFCD00068183

Customs Code

2903999090

FAQ

What regulatory guidelines apply to 1,3-Dichloro-2-fluoro-5-(trifluoromethyl)benzene (CAS: 77227-81-7)?

The compound 1,3-Dichloro-2-fluoro-5-(trifluoromethyl)benzene (CAS: 77227-81-7) is classified as a hazardous substance under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS). It is subject to stringent regulations such as REACH in the European Union, which requires manufacturers to register the substance and provide safety data sheets. Additionally, it is regulated by the FDA and EPA in the United States for any intended use in consumer or industrial products.

Are there alternatives to 1,3-Dichloro-2-fluoro-5-(trifluoromethyl)benzene in synthesis?

Yes, there are alternative reagents and compounds that can be used in synthesis. For instance, 1,3-Dichloro-2-fluoro-5-(trifluoromethyl)benzene (CAS: 77227-81-7) can be replaced by other halogenated benzenes with different substituents, such as 1,3-Dichloro-2-fluorobenzene, or by using different fluorinated or chlorinated intermediates depending on the required product. These alternatives can vary in reactivity and availability, influencing the choice of the most suitable reagent.

What is the market or research trend for 1,3-Dichloro-2-fluoro-5-(trifluoromethyl)benzene (CAS: 77227-81-7)?

The market for 1,3-Dichloro-2-fluoro-5-(trifluoromethyl)benzene (CAS: 77227-81-7) is evolving with increasing focus on sustainable chemical alternatives. Research trends are shifting towards the development of greener and more environmentally friendly compounds, and there is a growing interest in the use of this compound in specialized applications such as pharmaceuticals and high-performance polymers. However, due to its hazardous nature, there is also a push for safer and more benign alternatives in both industrial and research settings.

How should waste containing 1,3-Dichloro-2-fluoro-5-(trifluoromethyl)benzene (CAS: 77227-81-7) be handled?

Handling waste containing 1,3-Dichloro-2-fluoro-5-(trifluoromethyl)benzene (CAS: 77227-81-7) requires adherence to strict environmental and safety protocols. Waste should be collected in appropriate, leak-proof containers and stored in a designated area until disposal. For proper incineration, it should be shredded to ensure complete combustion, and the process should be conducted in a controlled, specialized incinerator. Professional waste disposal services should be used, and the disposal method should comply with local and international environmental regulations to prevent contamination of the environment.