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CS-W001157 4
Total: USD 88.00

3-Nitrobenzaldehyde

  • CAS No. 99-61-6

  • Cat. No. CS-W018126
  • Purity≥98%
  • MDL No.MFCD00007249

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

3-Nitrobenzaldehyde|CS-W018126

Structure of 99-61-6

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General Information

  • CAS No. 99-61-6
  • Cat. No. CS-W018126
  • Purity ≥98%
  • MDL No. MFCD00007249
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅NO₃
  • Molecular Weight 151.12
  • Synonym(s) m-Nitrobenzyldehyde
  • SMILES O=CC1=CC=CC([N+]([O-])=O)=C1

Description

3-Nitrobenzaldehyde features a para-nitro group that enhances electrophilicity at the carbonyl center, enabling efficient nucleophilic addition reactions. This bench-stable aldehyde integrates readily into synthetic sequences requiring electron-deficient aromatic scaffolds.

Application

3-Nitrobenzaldehyde serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted heterocycles and pharmaceutical intermediates. Its dual functionality—aldehyde and meta-nitro group—permits selective transformations under standard conditions, including reductive amination, Mannich reactions, and coupling protocols. The compound exhibits good bench stability and is readily purified by recrystallization or column chromatography, making it well-suited for iterative synthesis workflows in medicinal chemistry and process development.

Synthesis

  • Route1
    • null|null
      29949-19-7
    • ~99%
    • In-stock
      3-Nitrobenzaldehyde|CS-W018126
      99-61-6

    References

    • Kalbasi, Roozbeh Javad; Massah, Ahmad Reza; Shafiei, Anahita Journal of Molecular Catalysis A: Chemical, 2011 , vol. 335, # 1-2 p. 51 - 59
  • Route2
    • null|null
      645-00-1
    • null|null
      201230-82-2
    • ~90%
    • In-stock
      3-Nitrobenzaldehyde|CS-W018126
      99-61-6

    References

    • Jiang, Jianwen; Wang, Pingping; Cai, Mingzhong Journal of Chemical Research, 2014 , vol. 38, # 4 p. 218 - 222
  • Route3

    References

    • Vijay Kumar; Prakash Reddy; Sridhar; Srinivas; Rama Rao Synlett, 2009 , # 5 p. 739 - 742

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07,GHS09
Signal Word : Warning
UN#: 3077
Class : 9
Packing Group : Ⅲ
Hazard Statements : H302-H411
Precautionary Statements : P264-P270-P273-P330-P391-P501

Quality Control

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Computational Chemistry Data

  • TPSA   60.21
  • LogP   1.4073
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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