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CS-W001157 4
Total: USD 88.00

3,5-Dimethylbenzene-1,2-diamine

  • CAS No. 3171-46-8

  • Cat. No. CS-0099729
  • Purity≥98%
  • MDL No.MFCD00972722

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

3,5-Dimethylbenzene-1,2-diamine|CS-0099729

Structure of 3171-46-8

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General Information

  • CAS No. 3171-46-8
  • Cat. No. CS-0099729
  • Purity ≥98%
  • MDL No. MFCD00972722
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₂N₂
  • Molecular Weight 136.19
  • Synonym(s) 1,2-Diamino-3,5-dimethylbenzene
  • SMILES NC1=CC(C)=CC(C)=C1N

Application

3,5-Dimethylbenzene-1,2-diamine serves as a versatile building block in medicinal chemistry and catalyst design, enabling the synthesis of functionalized heterocycles through standard coupling and cyclization protocols. Its ortho-diamine framework exhibits good bench stability and facilitates efficient metal coordination, while the methyl substituents provide steric and electronic modulation for targeted reactivity. This compound functions effectively in Pd-catalyzed cross-couplings and oxidative cyclizations, offering predictable outcomes in multi-step syntheses.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   52.04
  • LogP   1.46784
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   0

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