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CS-W001157 4
Total: USD 88.00

3,4-Diaminotoluene

  • CAS No. 496-72-0

  • Cat. No. CS-W013550
  • Purity≥98%
  • MDL No.MFCD00007728
  • AREC Toxic Substance

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

3,4-Diaminotoluene|CS-W013550

Structure of 496-72-0

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General Information

  • CAS No. 496-72-0
  • Cat. No. CS-W013550
  • Purity ≥98%
  • MDL No. MFCD00007728
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₀N₂
  • Molecular Weight 122.17
  • Synonym(s) Tolylene-3,4-diamine
  • SMILES CC1=CC=C(N)C(N)=C1

Description

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Application

3,4-Diaminotoluene serves as a valuable building block in medicinal chemistry and materials science, enabling the synthesis of heterocyclic scaffolds and functionalized aromatic systems. Its ortho-diamine motif facilitates metal-catalyzed couplings, cyclizations, and coordination with transition metals. The molecule exhibits good bench stability and is compatible with standard purification methods, making it well-suited for iterative synthetic sequences and scale-up applications.

Synthesis

  • Route1
    • null|null
      610-39-9
    • ~96%
    • In-stock
      3,4-Diaminotoluene|CS-W013550
      496-72-0

    References

    • Zheng, Youguang; Zheng, Ming; Ling, Xin; Liu, Yi; Xue, Yunsheng; An, Lin; Gu, Ning; Jin, Min Bioorganic and Medicinal Chemistry Letters, 2013 , vol. 23, # 12 p. 3523 - 3530
  • Route2
    • null|null
      89-62-3
    • ~94%
    • In-stock
      3,4-Diaminotoluene|CS-W013550
      496-72-0

    References

    • Vass, Andras; Dudas, Jozsef; Toth, Judit; Varma, Rajender S. Tetrahedron Letters, 2001 , vol. 42, # 32 p. 5347 - 5349
  • Route3

    References

    • Saha, Biswajit; Sharma, Sunil; Kundu, Bijoy Synthetic Communications, 2007 , vol. 37, # 19 p. 3455 - 3470

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H312-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   52.04
  • LogP   1.15942
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   0

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