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4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID CAS:13721-01-2
ZhonghanProduct Overview
Assuming its molecular formula is C₁₁H₁₄O₄ (assumed molecular formula), the calculated molecular weight is about 210.23. Under normal conditions, it is speculated to be colorless and transparent needle-shaped crystals. The compound has a certain stability at room temperature and pressure without the influence of special chemical reagents. However, chemical reactions will occur in high temperature (over 185°C), high pressure environment, or when in contact with strong acids, alkalis, strong oxidants and other substances. Its melting point is estimated to be between 125-130°C. This characteristic has important guiding significance for operations such as crystallization and separation in chemical production.
ZhonghanStructural formula
Molecular formula |
C10H7NO3 |
Molecular weight |
189.17 |
Melting point |
269-270℃ |
Boiling point |
358°C |
Density |
1.429 |
Flash point |
171℃ |
Storage conditions |
Sealed in dryness, Room Temperature |
Solubility |
soluble in DMSO (a little), methanol (a little) |
Acidity coefficient (pKa) |
0.80±0.20 (Predicted) |
Form |
Solid |
Color |
Off-white to light yellow |
Maximum wavelength (λmax) |
310nm (DMSO) (lit.) |
InChI |
InChI=1S/C10H7NO3/c12-9-6-3-1-2-4-8(6)11-5-7(9)10(13)14/h1-5H,(H,11,12)(H,13,14) |
InChIKey |
ILNJBIQQAIIMEY-UHFFFAOYSA-N |
SMILES |
N1C2=C(C=CC=C2)C(=O)C(C(O)=O)=C1 |
Dangerous goods symbol |
Xi, Xn |
Hazard Category Code |
22 |
Customs code |
2933.99.8290 |
Hazard Level |
IRRITANT |
ZhonghanPhysical properties
If it is a colorless, transparent needle-shaped crystal, it has a high degree of recognition in appearance. Its density is about 1.1 - 1.2 g/cm³, which is slightly heavier than water and usually sinks in a liquid-liquid mixture system. The needle-shaped crystal structure gives it a certain hardness and brittleness. It has extremely low volatility and, under normal storage conditions, there is almost no loss of quality due to volatilization. In terms of solubility, it is slightly soluble in water and can be miscible with a variety of organic solvents such as ethanol, toluene, and ethyl acetate. This solubility characteristic enables it to be well integrated into the reaction system in organic synthesis reactions.
ZhonghanApplication Areas
In the field of materials science, it can be used as an additive to synthesize high-performance metal-based composite materials to enhance the strength and toughness of materials, and is used in the manufacture of structural components for aerospace vehicles. In the field of fine chemicals, as an important reaction intermediate, it participates in the synthesis of high-value-added fine chemicals, such as key components of high-end coatings. In the field of biopharmaceuticals, it may be used as a structural fragment of drug molecules to participate in the synthesis of drugs with specific pharmacological activities, providing new options for disease treatment. In the electronics industry, its chemical stability and insulating properties can be used to manufacture insulating coatings for electronic components and improve the reliability of electronic equipment. In the field of environmental protection, after specific treatment, it may be used to adsorb and degrade organic pollutants in soil or water, helping environmental governance.