4-Carboxybenzaldehyde

4-Carboxybenzaldehyde

Names
Preferred IUPAC name 4-Formylbenzoic acid [1]
Identifiers
CAS Number	619-66-9  Y
3D model (JSmol)	Interactive image
ChEBI	CHEBI:191179
ChemSpider	11591
ECHA InfoCard	100.009.645
EC Number	210-607-4
PubChem CID	12088
UNII	UES4QRK36E  Y
CompTox Dashboard (EPA)	DTXSID3027249
InChI InChI=1S/C8H6O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H,(H,10,11) Key: GOUHYARYYWKXHS-UHFFFAOYSA-N InChI=1/C8H6O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H,(H,10,11) Key: GOUHYARYYWKXHS-UHFFFAOYAP
SMILES c1cc(ccc1C=O)C(=O)O
Properties
Chemical formula	C8H6O3
Molar mass	150.133 g·mol−1
Appearance	white solid
Melting point	245 °C (473 °F; 518 K)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

4-Carboxybenzaldehyde (CBA) is an organic compound with the formula OCHC₆H₄CO₂H. It consists of a benzene ring substituted with both an aldehyde and a carboxylic acid, with these functional groups on opposite corners of the ring. This compound is formed in 0.5% yield as a byproduct in the production terephthalic acid from p-xylene. Since approximately 40,000,000 tons of terephthalic acid are produced per year, CBA is a relatively large scale industrial chemical. ^[2]

Uses

Bavisant

One known use of 4-Carboxybenzaldehyde is in the synthesis of Bavisant (JNJ-31001074) [929622-08-2]. ^[3]

See also

• 2-Carboxybenzaldehyde

References

1. International Union of Pure and Applied Chemistry (2014). Nomenclature of Organic Chemistry: IUPAC Recommendations and Preferred Names 2013. The Royal Society of Chemistry. P-65.1.6.3. doi:10.1039/9781849733069. ISBN   978-0-85404-182-4.
2. Barnicki, Scott D. (2012). "Synthetic Organic Chemicals". In Kent, James A. (ed.). Handbook of Industrial Chemistry and Biotechnology. Boston, MA: Springer US. pp. 307–389. doi:10.1007/978-1-4614-4259-2_10. ISBN   978-1-4614-4258-5.
3. Brett D. Allison, et al. WO2007035425 (to Janssen Pharmaceutica NV).