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CS-W001157 4
Total: USD 88.00

1-(Iodomethyl)-4-nitrobenzene

  • CAS No. 3145-86-6

  • Cat. No. CS-0438606
  • Purity≥98%
  • MDL No.None

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

1-(Iodomethyl)-4-nitrobenzene|CS-0438606

Structure of 3145-86-6

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General Information

  • CAS No. 3145-86-6
  • Cat. No. CS-0438606
  • Purity ≥98%
  • MDL No. None
  • Storage -20°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆INO₂
  • Molecular Weight 263.03
  • Synonym(s) P-NITROBENZYL IODIDE
  • SMILES O=[N+](C1=CC=C(CI)C=C1)[O-]

Synthesis

  • Route1

    References

    • Bandgar, Babasaheb P.; Bettigeri, Sampada V. Monatshefte fur Chemie, 2004 , vol. 135, # 10 p. 1251 - 1255
  • Route2
    • null|null
      100-14-1
    • ~93%
    • 1-(Iodomethyl)-4-nitrobenzene|CS-0438606
      3145-86-6

    References

    • F. HOFFMANN-LA ROCHE AG Patent: WO2004/96796 A1, 2004 ; Location in patent: Page 36 ; WO 2004/096796 A1
  • Route3
    • 2-[(4-Nitrophenyl)methoxy]oxane|CS-0037208
      18483-99-3
    • ~94%
    • 1-(Iodomethyl)-4-nitrobenzene|CS-0438606
      3145-86-6

    References

    • Iranpoor, Nasser; Firouzabadi, Habib; Gholinejad, Mohammad Canadian Journal of Chemistry, 2006 , vol. 84, # 7 p. 1006 - 1012

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-H317-H319
Precautionary Statements : P261-P264-P270-P272-P280-P302+P352-P305+P351+P338-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   43.14
  • LogP   2.5298
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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