Tel:

Email:

EN
Cat. No. Size / Unit Price Qty
CS-W001157 4
Total: USD 88.00

m-Cyanobenzoic acid

  • CAS No. 1877-72-1

  • Cat. No. CS-D1397
  • Purity≥95%
  • MDL No.MFCD00002486

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

m-Cyanobenzoic acid|CS-D1397

Structure of 1877-72-1

Please choose your location and provide accurate information for you
Size Stock
Price Quantity

* Please select Quantity before adding items.

General Information

  • CAS No. 1877-72-1
  • Cat. No. CS-D1397
  • Purity ≥95%
  • MDL No. MFCD00002486
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅NO₂
  • Molecular Weight 147.13
  • Synonym(s) 3-Carboxybenzonitrile; 3-Cyanobenzoic acid; m-Carboxybenzonitrile; 3-Cyanobenzoicacid
  • SMILES O=C(O)C1=CC=CC(C#N)=C1

Description

3-Cyanobenzoic acid was used in the preparation of new Co(II)-doped Zn(II)-tetrazole-benzoate coordination polymers via in situ [2+3] cycloaddition reactions with NaN3 in the presence of Zn(II) and/or Co(II) salts under hydrothermal conditions. It was also used in the synthesis of three-dimensional coordination polymer, [Mn3(OH)2Na2(3-cnba)6]n (3-Hcnba = 3-cyanobenzoic acid).

Application

m-Cyanobenzoic acid serves as a versatile building block in medicinal chemistry and materials science, enabling efficient access to functionalized aromatic systems. Its dual functionality—cyano and carboxylic acid groups—supports diverse transformations including amidation, esterification, and nucleophilic aromatic substitution. The meta-substitution pattern ensures predictable regiochemistry in downstream coupling reactions, while the compound exhibits good bench stability and straightforward purification, making it well-suited for high-throughput synthesis and process development workflows.

Synthesis

  • Route1
    • null|null
      620-22-4
    • ~86%
    • In-stock
      m-Cyanobenzoic acid|CS-D1397
      1877-72-1

    References

    • Yang, Fan; Sun, Jing; Zheng, Rui; Qiu, Wenwei; Tang, Jie; He, Mingyuan Tetrahedron, 2004 , vol. 60, # 5 p. 1225 - 1228
  • Route2

    References

    • Showa Denko Kabushiki Kaisha Patent: US6433211 B1, 2002 ;
  • Route3

    References

    • Journal of Organic Chemistry, , 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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

To search for quality control of cas , please enter both the product number and the lot/batch number.

Computational Chemistry Data

  • TPSA   61.09
  • LogP   1.25648
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

Other Classifications

Recently Viewed Products

Leave US a Message
Upload Pictures

Key Words

  • m-Cyanobenzoic acid sigmam-Cyanobenzoic acid manufacturerm-Cyanobenzoic acid pricem-Cyanobenzoic acid structurem-Cyanobenzoic acid SDSbuy m-Cyanobenzoic acidm-Cyanobenzoic acid supplierm-Cyanobenzoic acid usesm-Cyanobenzoic acid molecular weightprice of m-Cyanobenzoic acidm-Cyanobenzoic acid chemical name formula of m-Cyanobenzoic acid
This product is not sold in the region.
Confirm
How to get a Lot Number

Lot numbers can be found on the outside label of a product:

ChemScene Label