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CS-W001157 4
Total: USD 88.00

1-Chloro-4-(prop-2-yn-1-yl)benzene

  • CAS No. 70090-69-6

  • Cat. No. CS-0094847
  • Molecule weight150.60
  • Purity≥97%
  • MDL No.None

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

1-Chloro-4-(prop-2-yn-1-yl)benzene|CS-0094847

Structure of 70090-69-6

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General Information

  • CAS No. 70090-69-6
  • Cat. No. CS-0094847
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇Cl
  • Molecular Weight 150.60
  • Synonym(s) 1-Chloro-4-prop-2-ynyl-benzene
  • SMILES C#CCC1=CC=C(Cl)C=C1

Synthesis

  • Route1
    • 1-(4-Chlorophenyl)prop-2-yn-1-ol|CS-0433604
      29805-11-6
    • ~84%
    • 1-Chloro-4-(prop-2-yn-1-yl)benzene|CS-0094847
      70090-69-6

    References

    • Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki Organometallics, 2010 , vol. 29, # 22 p. 5994 - 6001
  • Route2
    • null|null
      13169-00-1
    • null|null
      873-77-8
    • ~%
    • 1-Chloro-4-(prop-2-yn-1-yl)benzene|CS-0094847
      70090-69-6

    References

    • NOVARTIS AG; NOVARTIS PHARMA GMBH Patent: WO2004/69256 A1, 2004 ; Location in patent: Page/Page column 34-35 ; WO 2004/069256 A1
  • Route3
    • null|null
      873-77-8
    • null|null
      106-96-7
    • ~7%
    • null|null
      2749-98-6
    • 1-Chloro-4-(prop-2-yn-1-yl)benzene|CS-0094847
      70090-69-6

    References

    • Li, Qinghan; Gau, Hanmou Synlett, 2012 , vol. 23, # 5 p. 747 - 750

Safety Information

Download SDS
GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   0
  • LogP   2.5157
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   1

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