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CAS 859027-07-9

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1-(Chloromethyl)-4-nitro-2-(trifluoromethyl)benzene

Description:
1-(Chloromethyl)-4-nitro-2-(trifluoromethyl)benzene, with the CAS number 859027-07-9, is an organic compound characterized by its aromatic structure, which includes a chloromethyl group and a nitro group on a benzene ring, along with a trifluoromethyl substituent. This compound typically exhibits a pale yellow to light brown appearance and is known for its relatively low solubility in water, while being more soluble in organic solvents such as dichloromethane and acetone. The presence of the trifluoromethyl group enhances its lipophilicity and can influence its reactivity and biological activity. The nitro group is a strong electron-withdrawing group, which can affect the compound's electrophilic and nucleophilic properties. Additionally, the chloromethyl group can serve as a reactive site for further chemical modifications, making this compound useful in various synthetic applications, including the development of pharmaceuticals and agrochemicals. Safety precautions should be taken when handling this compound, as it may pose health risks due to its chemical reactivity and potential toxicity.
Formula:C8H5ClF3NO2
InChI:InChI=1S/C8H5ClF3NO2/c9-4-5-1-2-6(13(14)15)3-7(5)8(10,11)12/h1-3H,4H2
InChI key:InChIKey=GUAJUBFXUNNMAO-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=C(CCl)C=CC(N(=O)=O)=C1
Synonyms:
  • 1-(Chloromethyl)-4-nitro-2-(trifluoromethyl)benzene
  • Benzene, 1-(chloromethyl)-4-nitro-2-(trifluoromethyl)-
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