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CS-W001157 4
Total: USD 88.00

(E)-3-Methyl-1-nitrobut-1-ene

  • CAS No. 27675-38-3

  • Cat. No. CS-0037831
  • Purity≥95%
  • MDL No.None

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

(E)-3-Methyl-1-nitrobut-1-ene|CS-0037831

Structure of 27675-38-3

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General Information

  • CAS No. 27675-38-3
  • Cat. No. CS-0037831
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₉NO₂
  • Molecular Weight 115.13
  • Synonym(s) 3-Methyl-1-nitrobut-1-ene
  • SMILES CC(C)/C=C/[N+](=O)[O-]

Synthesis

  • Route1
    • null|null
      75-52-5
    • null|null
      78-84-2
    • ~39%
    • (E)-3-Methyl-1-nitrobut-1-ene|CS-0037831
      27675-38-3

    References

    • Kumaran; Kulkarni Synthesis, 1995 , # 12 p. 1545 - 1548
  • Route2
    • null|null
      141377-55-1
    • ~75%
    • (E)-3-Methyl-1-nitrobut-1-ene|CS-0037831
      27675-38-3

    References

    • Anbazhagan; Kumaran; Sasidharan Journal of Chemical Research - Part S, 1997 , # 9 p. 336 - 337
  • Route3
    • null|null
      141377-55-1
    • ~45%
    • (E)-3-Methyl-1-nitrobut-1-ene|CS-0037831
      27675-38-3
    • null|null
      189350-16-1

    References

    • Lucet, Denis; Sabelle, Stephane; Kostelitz, Olivier; Le Gall, Thierry; Mioskowski, Charles European Journal of Organic Chemistry, 1999 , # 10 p. 2583 - 2591

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 1993
Class : 3
Packing Group : Ⅲ
Hazard Statements : H225-H315-H319
Precautionary Statements : P210-P233-P240-P241-P242-P243-P264-P280-P302+P352-P362+P364-P370+P378-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.14
  • LogP   1.4328
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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