3,4-Pyridinedicarboxylic acid - CAS 490-11-9
Catalog: |
BB026627 |
Product Name: |
3,4-Pyridinedicarboxylic acid |
CAS: |
490-11-9 |
Synonyms: |
pyridine-3,4-dicarboxylic acid |
IUPAC Name: | pyridine-3,4-dicarboxylic acid |
Description: | 3,4-Pyridinedicarboxylic acid (CAS# 490-11-9) is a useful research chemical. |
Molecular Weight: | 167.12 |
Molecular Formula: | C7H5NO4 |
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. |
MDL: | MFCD00006392 |
LogP: | 0.47800 |
Refractive Index: | 1.62 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 |
Publication Number | Title | Priority Date |
CN-113354579-A | High-yield synthesis method of 4-amino methyl nicotinate | 20210715 |
CN-113117745-A | Preparation method and application of metal-free catalyst | 20210413 |
CN-112939881-A | Bi-component organic room temperature phosphorescent material and preparation method thereof | 20210219 |
CN-111234259-A | Method for efficiently preparing ferrous metal organic framework material | 20200424 |
US-2021300839-A1 | Method for quenching peroxycarboxylic acid runaway reactions | 20200331 |
PMID | Publication Date | Title | Journal |
21246144 | 20110227 | Self-assembly and characterization of copper 3,4-pyridinedicarboxylate complexes based on a variety of polynuclear hydroxo clusters | Dalton transactions (Cambridge, England : 2003) |
21949661 | 20110101 | 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 | 20100825 | 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 | 20100701 | Hairpin-shaped tetranuclear palladium(II) complex: synthesis, crystal structure, DNA binding and cytotoxicity activity studies | European journal of medicinal chemistry |
18942826 | 20081127 | Inhibitor scaffolds for 2-oxoglutarate-dependent histone lysine demethylases | Journal of medicinal chemistry |
Complexity: | 204 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.02185764 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.02185764 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 87.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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Pyridines
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