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CS-W001157 4
Total: USD 88.00

Benzyl cyanoformate

  • CAS No. 5532-86-5

  • Cat. No. CS-0242651
  • Purity≥97%
  • MDL No.None

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

Benzyl cyanoformate|CS-0242651

Structure of 5532-86-5

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General Information

  • CAS No. 5532-86-5
  • Cat. No. CS-0242651
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇NO₂
  • Molecular Weight 161.16
  • Synonym(s) benzyl carbonocyanidate
  • SMILES O=C(C#N)OCC1=CC=CC=C1

Synthesis

  • Route1
    • 1,4-Diazabicyclo[2.2.2]octane,97%|CS-0888184
      280-57-9
    • null|null
      7677-24-9
    • null|null
      501-53-1
    • ~81%
    • Benzyl cyanoformate|CS-0242651
      5532-86-5

    References

    • Creanova Inc. Patent: US5852207 A1, 1998 ;
  • Route2
    • null|null
      151-50-8
    • null|null
      501-53-1
    • ~%
    • Benzyl cyanoformate|CS-0242651
      5532-86-5

    References

    • Journal of Organic Chemistry, , vol. 41, p. 3486 - 3487
  • Route3
    • null|null
      143-33-9
    • null|null
      501-53-1
    • ~%
    • Benzyl cyanoformate|CS-0242651
      5532-86-5

    References

    • Tetrahedron Letters, , p. 2517 - 2520

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS06
Signal Word : Danger
UN#: 2927
Class : 6.1,8
Packing Group : Ⅱ
Hazard Statements : H301+H311+H331-H314
Precautionary Statements : P260-P261-P264-P270-P271-P280-P301+P330+P331-P302+P352-P304+P340-P330-P361+P364-P363-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   50.09
  • LogP   1.25338
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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