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CS-W001157 4
Total: USD 88.00

2-(2-Methyl-3-nitrophenyl)acetonitrile

  • CAS No. 23876-14-4

  • Cat. No. CS-0308497
  • Purity≥98%
  • MDL No.None

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

2-(2-Methyl-3-nitrophenyl)acetonitrile|CS-0308497

Structure of 23876-14-4

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General Information

  • CAS No. 23876-14-4
  • Cat. No. CS-0308497
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈N₂O₂
  • Molecular Weight 176.17
  • Synonym(s) 2-Methyl-3-nitrobenzyl cyanide
  • SMILES CC1=C(C=CC=C1[N+](=O)[O-])CC#N

Synthesis

  • Route1

    References

    • CALITHERA BIOSCIENCES INC.; LI, Jim; CHEN, Lijing; GOYAL, Bindu; LAIDIG, Guy; STANTON, Timothy, Friend; SJOGREN, Eric, Brian Patent: WO2013/78123 A1, 2013 ; Location in patent: Page/Page column 122 ; WO 2013/078123 A1
  • Route2
    • null|null
      151-50-8
    • 2-Methyl-3-nitrobenzyl methanesulfonate|CS-0829457
      196500-09-1
    • ~75%
    • 2-(2-Methyl-3-nitrophenyl)acetonitrile|CS-0308497
      23876-14-4

    References

    • Pfizer Inc Patent: US2005/267096 A1, 2005 ; Location in patent: Page/Page column 29 ; US 20050267096 A1
  • Route3

    References

    • US5952362 A1, ; US 5952362 A

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   66.93
  • LogP   1.9693
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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