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
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.
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].
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) |
