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CS-W001157 4
Total: USD 88.00

1-Ethynyl-4-methyl-2-nitrobenzene

  • CAS No. 875768-16-4

  • Cat. No. CS-0609389
  • Molecule weight161.16
  • Purity≥98%
  • MDL No.None

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

1-Ethynyl-4-methyl-2-nitrobenzene|CS-0609389

Structure of 875768-16-4

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General Information

  • CAS No. 875768-16-4
  • Cat. No. CS-0609389
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇NO₂
  • Molecular Weight 161.16
  • Synonym(s) 1-ethynyl-4-methyl-2-nitro-benzene
  • SMILES O=[N+](C1=CC(C)=CC=C1C#C)[O-]

Synthesis

  • Route1
    • null|null
      106851-21-2
    • ~%
    • 1-Ethynyl-4-methyl-2-nitrobenzene|CS-0609389
      875768-16-4

    References

    • Jadhav, Appaso Mahadev; Bhunia, Sabyasachi; Liao, Hsin-Yi; Liu, Rai-Shung Journal of the American Chemical Society, 2011 , vol. 133, # 6 p. 1769 - 1771
  • Route2

    References

    • Jadhav, Appaso Mahadev; Bhunia, Sabyasachi; Liao, Hsin-Yi; Liu, Rai-Shung Journal of the American Chemical Society, 2011 , vol. 133, # 6 p. 1769 - 1771

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   43.14
  • LogP   1.88452
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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