5-Cyano-1,3-benzenedicarboxylic acid
Catalog Number
ACM23341131-1
CAS
23341-13-1
IUPAC Name
5-cyanobenzene-1,3-dicarboxylic acid
Synonyms
5-Cyanoisophthalicacid,H2CyIPT
Molecular Weight
191.14
Molecular Formula
(C21H9)n
Product Information
Description
5-Cyano-1,3-benzenedicarboxylic acid (CYDC) is an organic linker that can be used as a ligand in the formation of metal-organic frameworks (MOFs). CYDC is a carboxylate ligand that can be used in the development of new materials for applications in light-emitting diodes (LEDs) and chemical sensors.
Canonical SMILES
C1=C(C=C(C=C1C(=O)O)C(=O)O)C#N
InChI
1S/C9H5NO4/c10-4-5-1-6(8(11)12)3-7(2-5)9(13)14/h1-3H,(H,11,12)(H,13,14)
InChI Key
YKADUTAIRWMMFI-UHFFFAOYSA-N
Melting Point
248-252 °C
Flash Point
Not applicable
Purity
≥95%
Appearance
crystals
Complexity
281
Exact Mass
191.021858g/mol
Heavy Atom Count
14
MDL Number
MDLnumberMFCD16621431
Monoisotopic Mass
191.021858g/mol
Rotatable Bond Count
2
Please kindly note that our products and services are for research use only.
Have a question? Get a Free Consultation