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CS-W001157 4
Total: USD 88.00

2-Methyl-2-nitropropane-1,3-diol

  • CAS No. 77-49-6

  • Cat. No. CS-0116710
  • Molecule weightNone
  • Purity≥97%
  • MDL No.MFCD00024812

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

2-Methyl-2-nitropropane-1,3-diol|CS-0116710

Structure of 77-49-6

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General Information

  • CAS No. 77-49-6
  • Cat. No. CS-0116710
  • Purity ≥97%
  • MDL No. MFCD00024812
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₉NO₄
  • Molecular Weight None
  • Synonym(s) 2-Nitro-2-methyl-1,3-propanediol
  • SMILES OCC([N+]([O-])=O)(C)CO

Synthesis

  • Route1
    • null|null
      50-00-0
    • null|null
      79-24-3
    • ~70%
    • 2-Nitro-1-propanol|CS-0204482
      2902-96-7
    • In-stock
      2-Methyl-2-nitropropane-1,3-diol|CS-0116710
      77-49-6

    References

    • EP2468713 A1, ; Page/Page column 3-4 ;
  • Route2
    • null|null
      79-24-3
    • null|null
      71481-64-6
    • ~%
    • In-stock
      2-Methyl-2-nitropropane-1,3-diol|CS-0116710
      77-49-6

    References

    • WO2012/44508 A1, ; Page/Page column 15 ;
  • Route3
    • null|null
      50-00-0
    • null|null
      79-24-3
    • ~%
    • In-stock
      2-Methyl-2-nitropropane-1,3-diol|CS-0116710
      77-49-6

    References

    • Roczniki Chemii, , vol. 31, p. 695,697 Chem.Abstr., , p. 5414

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   83.6
  • LogP   -0.9936
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   3

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