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CS-W001157 4
Total: USD 88.00

Methyl 3-chlorobenzoate

  • CAS No. 2905-65-9

  • Cat. No. CS-B1792
  • Purity≥98%
  • MDL No.MFCD00000592

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

Methyl 3-chlorobenzoate|CS-B1792

Structure of 2905-65-9

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General Information

  • CAS No. 2905-65-9
  • Cat. No. CS-B1792
  • Purity ≥98%
  • MDL No. MFCD00000592
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇ClO₂
  • Molecular Weight 170.59
  • Synonym(s) None
  • SMILES O=C(OC)C1=CC=CC(Cl)=C1

Description

The (1+1) Resonance Enhanced Multiphoton Ionisation (REMPI) spectrum and the fluorescence excitation spectrum of methyl 3-chlorobenzoate has been measured in the supersonic free jet. Reaction of methyl 3-chlorobenzoate with lithium diisobutyl-t-butoxyaluminum hydride (LDBBA) has been investigated.

Synthesis

  • Route1
    • null|null
      67-56-1
    • In-stock
      3-Chlorobenzaldehyde|CS-W019946
      587-04-2
    • ~99%
    • In-stock
      Methyl 3-chlorobenzoate|CS-B1792
      2905-65-9

    References

    • De Sarkar, Suman; Grimme, Stefan; Studer, Armido Journal of the American Chemical Society, 2010 , vol. 132, p. 1190 - 1191
  • Route2
    • null|null
      67-56-1
    • In-stock
      3-Chlorobenzyl alcohol|CS-W018271
      873-63-2
    • ~93%
    • In-stock
      Methyl 3-chlorobenzoate|CS-B1792
      2905-65-9

    References

    • Nobuta, Tomoya; Fujiya, Akitoshi; Hirashima, Shin-Ichi; Tada, Norihiro; Miura, Tsuyoshi; Itoh, Akichika Tetrahedron Letters, 2012 , vol. 53, # 39 p. 5306 - 5308
  • Route3

    References

    • Marchal, Joel; Bodiguel, Jacques; Fort, Yves; Caubere, Paul Journal of Organic Chemistry, 1995 , vol. 60, # 26 p. 8336 - 8340

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.1266
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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