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CS-W001157 4
Total: USD 88.00

1-Chloro-3-methyl-5-nitrobenzene

  • CAS No. 16582-38-0

  • Cat. No. CS-0153264
  • Purity≥98%
  • MDL No.MFCD09955417

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

1-Chloro-3-methyl-5-nitrobenzene|CS-0153264

Structure of 16582-38-0

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General Information

  • CAS No. 16582-38-0
  • Cat. No. CS-0153264
  • Purity ≥98%
  • MDL No. MFCD09955417
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆ClNO₂
  • Molecular Weight 171.58
  • Synonym(s) 3-Chloro-5-nitrotoluene
  • SMILES CC1=CC(=CC(=C1)[N+](=O)[O-])Cl

Synthesis

  • Route1

    References

    • Ichida, Akito Patent: US2004/147776 A1, 2004 ; Location in patent: Page 2 ;
  • Route2
    • 2-Chloro-4-methyl-6-nitroaniline|CS-0153376
      5465-33-8
    • ~70%
    • In-stock
      1-Chloro-3-methyl-5-nitrobenzene|CS-0153264
      16582-38-0

    References

    • Grella; Danso-Danquah; Safo; Joshi; Kister; Marden; Hoffman; Abraham Journal of Medicinal Chemistry, 2000 , vol. 43, # 25 p. 4726 - 4737
  • Route3
    • null|null
      89-62-3
    • ~%
    • In-stock
      1-Chloro-3-methyl-5-nitrobenzene|CS-0153264
      16582-38-0

    References

    • Journal of Medicinal Chemistry, , vol. 43, # 25 p. 4726 - 4737

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-H315-H319-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   43.14
  • LogP   2.55662
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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