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CS-W001157 4
Total: USD 88.00

2-Propoxybenzoic acid

  • CAS No. 2100-31-4

  • Cat. No. CS-W017201
  • Molecule weight180.20
  • Purity≥97%
  • MDL No.MFCD01075687

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

2-Propoxybenzoic acid|CS-W017201

Structure of 2100-31-4

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General Information

  • CAS No. 2100-31-4
  • Cat. No. CS-W017201
  • Purity ≥97%
  • MDL No. MFCD01075687
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂O₃
  • Molecular Weight 180.20
  • Synonym(s) o-Propoxybenzoic acid; 2-Propoxybenzoic acid
  • SMILES O=C(O)C1=CC=CC=C1OCCC

Description

2-Bromo-3-fluoroaniline is used as pharmaceutical intermediate.

Synthesis

  • Route1
    • null|null
      92156-43-9
    • ~96%
    • In-stock
      2-Propoxybenzoic acid|CS-W017201
      2100-31-4

    References

    • JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH; UNIVERSITÉ DE STRASBOURG; KUNDU, Tapas Kumar; BOUTILLIER, Anne-Laurence; CHATTERJEE, Snehajyoti; ESWARAMOORTHY, Muthusamy; MIZAR, Pushpak; MATHIS, Chantal; CASSEL, Jean-Christophe; NEIDL, Romain; VASUDEVARAO, Mohankrishna Dalvoy,; MAHESHWARAPPA, Vedamurthy Bhusainahalli, Patent: WO2013/160885 A1, 2013 ; Location in patent: Page/Page column 16 ;
  • Route2

    References

    • Rao, Gopal Krishna; Gowda, Narendra B.; Ramakrishna, Ramesha A. Synthetic Communications, 2012 , vol. 42, # 6 p. 893 - 904
  • Route3
    • Methyl 2-propoxybenzoate|CS-0522072
      18167-33-4
    • ~%
    • In-stock
      2-Propoxybenzoic acid|CS-W017201
      2100-31-4

    References

    • Journal of the American Chemical Society, , vol. 64, p. 1691,1692

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   2.1736
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   4

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