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CS-W001157 4
Total: USD 88.00

Phenylacetic acid mustard

  • CAS No. 10477-72-2

  • Cat. No. CS-0128229
  • Molecule weight276.16
  • Purity≥98%
  • MDL No.None

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

Phenylacetic acid mustard|CS-0128229

Structure of 10477-72-2

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General Information

  • CAS No. 10477-72-2
  • Cat. No. CS-0128229
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₅Cl₂NO₂
  • Molecular Weight 276.16
  • Synonym(s) None
  • SMILES O=C(O)CC1=CC=C(N(CCCl)CCCl)C=C1

Synthesis

  • Route1

    References

    • Dowell, Robert I.; Springer, Caroline J.; Davies, David H.; Hadley, Elizabeth M.; Burke, Philip J.; Boyle, F. Thomas; Melton, Roger G.; Connors, Thomas A.; Blakey, David C.; Mauger, Anthony B. Journal of Medicinal Chemistry, 1996 , vol. 39, # 5 p. 1100 - 1105
  • Route2

    References

    • Dowell, Robert I.; Springer, Caroline J.; Davies, David H.; Hadley, Elizabeth M.; Burke, Philip J.; Boyle, F. Thomas; Melton, Roger G.; Connors, Thomas A.; Blakey, David C.; Mauger, Anthony B. Journal of Medicinal Chemistry, 1996 , vol. 39, # 5 p. 1100 - 1105
  • Route3

    References

    • Hovinen, Jari Acta Chemica Scandinavica, 1996 , vol. 50, # 12 p. 1174 - 1176

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06,GHS08
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331-H341
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   40.54
  • LogP   2.5977
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   7

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