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714739

Sigma-Aldrich

5-Cyano-1,3-benzenedicarboxylic acid

greener alternative

≥95%

Synonym(s):

5-Cyanoisophthalic acid, H2CyIPT

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About This Item

Empirical Formula (Hill Notation):
C9H5NO4
CAS Number:
23341-13-1
Molecular Weight:
191.14
EC Number:
245-594-4
MDL number:
MFCD16621431
UNSPSC Code:
26111700
PubChem Substance ID:
329763309
NACRES:
NA.23

Assay

≥95%

form

solid

greener alternative product characteristics

Design for Energy Efficiency
Learn more about the Principles of Green Chemistry.

sustainability

Greener Alternative Product

mp

248-252 °C

greener alternative category

Enabling,

SMILES string

OC(=O)c1cc(cc(c1)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

General 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). It is reported to show luminescence in the solid-state at λem= 360 and 372 nm and a small band at 481 nm upon excitation at λexc= 320 nm.
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Application

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. It can also be used in the formation of multivariate MOFs for potential usage in gas storage, catalysis, and biomedicine.
Metal organic frameworks (MOFs) may be formed by the hydrothermal reaction of 5-Cyano-1,3-benzenedicarboxylic acid ligand with metallic salts of cadmium, zinc and cobalt in the presence of sodium azide.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
MKCK0080
MKCC7801
MKCB7077
MKBV2867V
MKBC8076V

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Luminescence and magnetic properties of three metal?organic frameworks based on the 5-(1H-tetrazol-5-yl) isophthalic acid ligand
Calahorro A, et al.
CrystEngComm, 15(38), 7636-7639 (2013)
Slow relaxation of magnetization in 3D-MOFs based on dysprosium dinuclear entities bridged by dicarboxylic linkers
Oyarzabal I, et al.
CrystEngComm, 18(17), 3055-3063 (2016)
Designing Multifunctional 5-Cyanoisophthalate-Based Coordination Polymers as Single-Molecule Magnets, Adsorbents, and Luminescent Materials
Seco JM, et al.
Inorganic Chemistry, 55(21), 11230-11248 (2016)
Multi-Spectroscopic Interrogation of the Spatial Linker Distribution in Defect-Engineered Metal-Organic Framework Crystals: The [Cu3 (btc) 2- x (cydc) x] Showcase
Rivera-Torrente M, et al.
Chemistry?A European Journal null

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Metal-organic frameworks offer high surface area materials for alternative energy applications through simple synthetic strategies.

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