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CS-W001157 4
Total: USD 88.00

1-(2-Chloroethyl)-3-(4-fluorophenyl)urea

  • CAS No. 13908-32-2

  • Cat. No. CS-0445664
  • Molecule weight216.64
  • Purity≥98%
  • MDL No.None

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

1-(2-Chloroethyl)-3-(4-fluorophenyl)urea|CS-0445664

Structure of 13908-32-2

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General Information

  • CAS No. 13908-32-2
  • Cat. No. CS-0445664
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀ClFN₂O
  • Molecular Weight 216.64
  • Synonym(s) N-(2-CHLOROETHYL)-N'-(4-FLUOROPHENYL)UREA
  • SMILES ClCCNC(NC1=CC=C(F)C=C1)=O

Synthesis

  • Route1
    • null|null
      1943-83-5
    • null|null
      371-40-4
    • ~96%
    • 1-(2-Chloroethyl)-3-(4-fluorophenyl)urea|CS-0445664
      13908-32-2

    References

    • Teno, Naoki; Gohda, Keigo; Wanaka, Keiko; Tsuda, Yuko; Sueda, Takuya; Yamashita, Yukiko; Otsubo, Tadamune Bioorganic and Medicinal Chemistry, 2014 , vol. 22, # 7 p. 2339 - 2352
  • Route2
    • 2-Chloroethanamine hydrochloride Ifosfamide  Impurity|CS-0229451
      870-24-6
    • null|null
      1195-45-5
    • ~%
    • 1-(2-Chloroethyl)-3-(4-fluorophenyl)urea|CS-0445664
      13908-32-2

    References

    • WO2006/27211 A1, ; Page/Page column 72 ; WO 2006/027211 A1
  • Route3
    • null|null
      1195-45-5
    • null|null
      689-98-5
    • ~%
    • 1-(2-Chloroethyl)-3-(4-fluorophenyl)urea|CS-0445664
      13908-32-2

    References

    • Journal of medicinal chemistry, , vol. 9, # 6 p. 892 - 911

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   41.13
  • LogP   2.186
  • H_Acceptors   1
  • H_Donors   2
  • Rotatable_Bonds   3

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