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1-(2-Amino-3,5-dimethylphenyl)-2-chloroethan-1-one

  • CAS No. 61871-83-8

  • Cat. No. CS-0572939
  • Molecule weight197.66
  • Purity≥98%
  • MDL No.None

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

1-(2-Amino-3,5-dimethylphenyl)-2-chloroethan-1-one|CS-0572939

Structure of 61871-83-8

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General Information

  • CAS No. 61871-83-8
  • Cat. No. CS-0572939
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂ClNO
  • Molecular Weight 197.66
  • Synonym(s) Ethanone, 1-(2-amino-3,5-dimethylphenyl)-2-chloro-
  • SMILES CC1=CC(=C(C(=C1)C(=O)CCl)N)C

Synthesis

  • Route1
    • null|null
      107-14-2
    • null|null
      95-68-1
    • ~%
    • 1-(2-Amino-3,5-dimethylphenyl)-2-chloroethan-1-one|CS-0572939
      61871-83-8

    References

    • Wu, Chengde; Decker, E. Radford; Blok, Natalie; Bui, Huong; You, Tony J.; Wang, Junmei; Bourgoyne, Andree R.; Knowles, Vippra; Berens, Kurt L.; Holland, George W.; Brock, Tommy A.; Dixon, Richard A. F. Journal of Medicinal Chemistry, 2004 , vol. 47, # 8 p. 1969 - 1986

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

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Computational Chemistry Data

  • TPSA   43.09
  • LogP   2.30714
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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