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CS-W001157 4
Total: USD 88.00

1-(Tert-butyl)-3,5-dichlorobenzene

  • CAS No. 1369899-62-6

  • Cat. No. CS-0173669
  • Molecule weight203.11
  • Purity≥98%
  • MDL No.MFCD28466945

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

1-(Tert-butyl)-3,5-dichlorobenzene|CS-0173669

Structure of 1369899-62-6

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General Information

  • CAS No. 1369899-62-6
  • Cat. No. CS-0173669
  • Purity ≥98%
  • MDL No. MFCD28466945
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂Cl₂
  • Molecular Weight 203.11
  • Synonym(s) None
  • SMILES CC(C1=CC(Cl)=CC(Cl)=C1)(C)C

Description

1-(Tert-butyl)-3,5-dichlorobenzene features a sterically hindered tert-butyl group flanked by two chlorine atoms at the 3 and 5 positions, delivering enhanced stability and solubility in nonpolar media. This electronic and steric profile enables its use as a robust building block in pharmaceutical synthesis and materials science.

Application

1-(Tert-butyl)-3,5-dichlorobenzene serves as a versatile building block in medicinal chemistry and agrochemical synthesis, offering enhanced steric bulk and electronic modulation via its tert-butyl and dichloro substituents. The molecule exhibits excellent bench stability, facilitates efficient functionalization through palladium-catalyzed coupling reactions, and enables access to complex heterocyclic scaffolds due to its orthogonal reactivity profile and compatibility with standard synthetic workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS05,GHS07,GHS09
Signal Word : Danger
UN#: 3082
Class : 9
Packing Group : Ⅲ
Hazard Statements : H302+H312-H315-H318-H411
Precautionary Statements : P264-P270-P273-P280-P302+P352-P330-P362+P364-P391-P501

Quality Control

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Computational Chemistry Data

  • TPSA   0
  • LogP   4.2909
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   0

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