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CS-W001157 4
Total: USD 88.00

Butyl 3-chlorobenzoate

  • CAS No. 63987-54-2

  • Cat. No. CS-0570239
  • Purity≥98%
  • MDL No.None

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

Butyl 3-chlorobenzoate|CS-0570239

Structure of 63987-54-2

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General Information

  • CAS No. 63987-54-2
  • Cat. No. CS-0570239
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃ClO₂
  • Molecular Weight 212.67
  • Synonym(s) Benzoic acid, 3-chloro, butyl ester
  • SMILES CCCCOC(=O)C1=CC(=CC=C1)Cl

Synthesis

  • Route1
    • null|null
      90470-60-3
    • ~%
    • null|null
      109-65-9
    • Butyl 3-chlorobenzoate|CS-0570239
      63987-54-2

    References

    • Mathiyalagan Journal of the Indian Chemical Society, 2012 , vol. 89, # 11 p. 1499 - 1506
  • Route2

    References

    • Xavier, N.; Arulraj, S. J. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1988 , vol. 27, # 1-12 p. 775 - 777
  • Route3
    • null|null
      101005-09-8
    • ~98%
    • Butyl 3-chlorobenzoate|CS-0570239
      63987-54-2

    References

    • Ochiai, Masahito; Ito, Takao; Takahashi, Hideo; Nakanishi, Akinobu; Toyonari, Mika; Sueda, Takuya; Goto, Satoru; Shiro, Motoo Journal of the American Chemical Society, 1996 , vol. 118, # 33 p. 7716 - 7730

Safety Information

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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   26.3
  • LogP   3.2969
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   4

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