3,4-Pyridinedicarboxylic acid

Product Information

Molecular Formula:
C7H5NO4
Molecular Weight:
167.12
Description
3,4-Pyridinedicarboxylic acid (CAS# 490-11-9) is a useful research chemical.
Synonyms
pyridine-3,4-dicarboxylic acid
IUPAC Name
pyridine-3,4-dicarboxylic acid
Canonical SMILES
C1=CN=CC(=C1C(=O)O)C(=O)O
InChI
InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-3-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)
InChI Key
MUYSADWCWFFZKR-UHFFFAOYSA-N
Boiling Point
528.8 °C at 760 mmHg
Melting Point
262 °C
Purity
98 %
Density
1.551 g/cm3
Appearance
Crystals
Storage
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Refractive Index
1.62
LogP
0.47800

Safety Information

Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].
Signal Word
Warning

Computed Properties

XLogP3
-0.1
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
2
Exact Mass
167.02185764 g/mol
Monoisotopic Mass
167.02185764 g/mol
Topological Polar Surface Area
87.5Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
204
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
JP-2022009369-A Deodorant for daily life odor 2021-10-21
CN-113354579-A High-yield synthesis method of 4-amino methyl nicotinate 2021-07-15
CN-113277510-A Synthetic method for preparing porous carbon material by using small molecules 2021-05-31
CN-113117745-A Preparation method and application of metal-free catalyst 2021-04-13
CN-113105485-A Rare earth ternary complex heat stabilizer and preparation method and application thereof 2021-03-10
CN-112939881-A Bi-component organic room temperature phosphorescent material and preparation method thereof 2021-02-19
JP-2022041899-A Resin composition, resin film and display device 2020-08-31
JP-2022041900-A Laminates and display devices 2020-08-31
JP-2022041901-A Laminates and display devices 2020-08-31
WO-2022044822-A1 Resin composition, resin film, and display device 2020-08-31

Literatures

PMID Publication Date Title Journal
21246144 2011-02-27 Self-assembly and characterization of copper 3,4-pyridinedicarboxylate complexes based on a variety of polynuclear hydroxo clusters Dalton transactions (Cambridge, England : 2003)
21949661 2011-01-01 Synthesis characterization and biological activity study of new schiff and mannich bases and some metal complexes derived from isatin and dithiooxamide Bioinorganic chemistry and applications
21588554 2010-08-25 Poly[(μ(3)-4-carb-oxy-pyridine-3-carboxyl-ato-κN:O:O)(triphenyl-phosphine-κP)silver(I)] Acta crystallographica. Section E, Structure reports online
20359787 2010-07-01 Hairpin-shaped tetranuclear palladium(II) complex: synthesis, crystal structure, DNA binding and cytotoxicity activity studies European journal of medicinal chemistry
18942826 2008-11-27 Inhibitor scaffolds for 2-oxoglutarate-dependent histone lysine demethylases Journal of medicinal chemistry
17075927 2007-01-01 Polymorphism in crystalline cinchomeronic acid Chemistry (Weinheim an der Bergstrasse, Germany)
16025182 2005-08-07 Three-dimensional mesomeric networks assembled from helix-linked sheets: syntheses, structures, and magnetisms Dalton transactions (Cambridge, England : 2003)
15779976 2005-03-29 Molecular rectification: application in dye-sensitized solar cells Langmuir : the ACS journal of surfaces and colloids
15018503 2004-03-22 Syntheses, structures, and photoluminescence of a novel class of d10 metal complexes constructed from pyridine-3,4-dicarboxylic acid with different coordination architectures Inorganic chemistry
14765237 2004-02-21 Temperature-controlled hydrothermal synthesis of a 2D ferromagnetic coordination bilayered polymer and a novel 3D network with inorganic Co3(OH)2 ferrimagnetic chains Chemical communications (Cambridge, England)
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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