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CS-W001157 4
Total: USD 88.00

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

  • CAS No. 54773-20-5

  • Cat. No. CS-0067851
  • Purity≥98%
  • MDL No.MFCD00203929

*For research and further manufacturing use only, not for direct human use.

1,3-Dichloro-5-(trifluoromethyl)benzene|CS-0067851

Structure of 54773-20-5

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General Information

  • CAS No. 54773-20-5
  • Cat. No. CS-0067851
  • Purity ≥98%
  • MDL No. MFCD00203929
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃Cl₂F₃
  • Molecular Weight 215.00
  • Synonym(s) 3,5-Dichlorobenzotrifluoride
  • SMILES FC(C1=CC(Cl)=CC(Cl)=C1)(F)F

Description

1,3-Dichloro-5-(trifluoromethyl)benzene features a trifluoromethyl group that imparts enhanced electron-withdrawal and metabolic stability. The ortho-chlorine substituents enable selective functionalization in cross-coupling reactions, while the molecule's bench-stable nature simplifies handling in synthetic workflows.

Application

1,3-Dichloro-5-(trifluoromethyl)benzene serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient introduction of electron-withdrawing trifluoromethyl and halogen functionalities. Its stability under standard reaction conditions and compatibility with palladium-catalyzed cross-coupling reactions facilitate the construction of complex aromatic scaffolds. The molecule functions effectively in Suzuki-Miyaura, Stille, and Negishi couplings, offering predictable reactivity and straightforward purification.

Safety Information

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GHS Pictogram :
GHS No : GHS02,GHS05
Signal Word : Danger
UN#: 1760
Class : 8
Packing Group : Ⅲ
Hazard Statements : H226-H314-H318
Precautionary Statements : P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501

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Computational Chemistry Data

  • TPSA   0
  • LogP   4.0122
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   0

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