5,7-dichloro-4-oxo-1H-quinoline-3-carboxylic acid
C10H5Cl2NO3
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Identification
- CAS Number
- 171850-30-9
- EC Number
- 431-250-2
- UN Number
- 3077
- Index Number
- 607-563-00-7
- PubChem CID
- 735362
Physical-chemical properties
- Molecular Formula
- C10H5Cl2NO3
- Molar Mass
- 258.05 g/mol
- IUPAC Name
- 5,7-dichloro-4-oxo-1H-quinoline-3-carboxylic acid
Chemical Identifiers
- InChI
- InChI=1S/C10H5Cl2NO3/c11-4-1-6(12)8-7(2-4)13-3-5(9(8)14)10(15)16/h1-3H,(H,13,14)(H,15,16)
- InChI Key
- DEBOCPZCSPMQBS-UHFFFAOYSA-N
Overview
5,7-dichloro-4-oxo-1H-quinoline-3-carboxylic acid (CAS 171850-30-9) is a dichlorinated quinoline derivative with carboxylic acid functionality and ketone groups. This specialized quinoline compound represents an important class of heterocyclic organic molecules characterized by its unique substitution pattern. The molecular structure features two strategically positioned chlorine atoms at the 5 and 7 positions of the quinoline ring system, combined with a carboxylic acid group at position 3 and a ketone functionality at position 4. With a molecular formula of C10H5Cl2NO3 and molecular weight of 258.05 g/mol, this compound exhibits distinct chemical properties that make it valuable for various industrial applications. The presence of multiple functional groups - including the aromatic quinoline core, halogen substituents, carboxylic acid, and ketone moieties - provides this compound with versatile reactivity profiles. The dichlorinated quinoline structure shares certain characteristics with other complex aromatic compounds such as 4-[9-(4-amino-3-chlorophenyl)fluoren-9-yl]-2-chloroaniline, which also contains chlorinated aromatic systems used in specialized chemical applications. From a safety perspective, this compound is classified under the Aquatic Chronic 2 hazard category with GHS09 pictogram designation, indicating potential long-term environmental effects on aquatic life. The ADR Class 9 classification categorizes it as a miscellaneous dangerous substance requiring appropriate handling protocols during transportation and storage. Primary industrial applications include use as an intermediate in pharmaceutical synthesis, development of specialty agrochemicals, and production of advanced materials where quinoline-based structures provide specific performance characteristics. The compound's unique substitution pattern makes it particularly valuable for creating derivatives with targeted biological or chemical properties. OYSI maintains reliable supply chains for this specialized quinoline derivative to support European industrial customers' technical requirements.
Safety & Classification
Aquatic Chronic 2
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
Toxic to aquatic life with long lasting effects.
Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).
First Aid Measures
Transport (ADR)
| UN Number | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | 5,7-Dichlor-4-hydroxychinolin-3-carbonsäure |
| Marine Pollutant | No |
Frequently Asked Questions
What is 5,7-dichloro-4-oxo-1H-quinoline-3-carboxylic acid?
5,7-dichloro-4-oxo-1H-quinoline-3-carboxylic acid is a synthetic quinoline derivative with the molecular formula C10H5Cl2NO3 and CAS number 171850-30-9. This compound features a quinoline backbone substituted with two chlorine atoms at positions 5 and 7, a ketone group at position 4, and a carboxylic acid group at position 3. With a molecular weight of 258.05 g/mol, it belongs to the family of halogenated heterocyclic compounds commonly used in pharmaceutical and chemical research applications.
What are the physicochemical properties of 5,7-dichloro-4-oxo-1H-quinoline-3-carboxylic acid?
5,7-dichloro-4-oxo-1H-quinoline-3-carboxylic acid is typically a crystalline solid at room temperature with a molecular weight of 258.05 g/mol. The presence of chlorine substituents and the quinoline ring system generally confer low water solubility, while the carboxylic acid group may provide some polarity. The compound's stability and solubility characteristics are influenced by its aromatic heterocyclic structure and the electron-withdrawing effects of the chlorine atoms and carbonyl group.
What is 5,7-dichloro-4-oxo-1H-quinoline-3-carboxylic acid used for?
5,7-dichloro-4-oxo-1H-quinoline-3-carboxylic acid is primarily used as an intermediate in pharmaceutical synthesis and organic chemistry research. Quinoline derivatives like this compound serve as building blocks for developing antimicrobial agents, anti-inflammatory compounds, and other bioactive molecules. The specific substitution pattern makes it valuable for structure-activity relationship studies and as a precursor for synthesizing more complex quinoline-based pharmaceuticals in research laboratories and chemical manufacturing facilities.
How to handle 5,7-dichloro-4-oxo-1H-quinoline-3-carboxylic acid safely?
5,7-dichloro-4-oxo-1H-quinoline-3-carboxylic acid should be handled with standard laboratory safety precautions including wearing appropriate personal protective equipment such as safety glasses, gloves, and lab coats. Work in well-ventilated areas or under fume hoods to prevent inhalation exposure. Given its Aquatic Chronic 2 classification, avoid environmental release. Handle containers carefully to prevent spills and ensure proper grounding when transferring materials to prevent static discharge. Follow good laboratory practices and maintain clean work areas.
How to store 5,7-dichloro-4-oxo-1H-quinoline-3-carboxylic acid correctly?
5,7-dichloro-4-oxo-1H-quinoline-3-carboxylic acid should be stored in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Keep containers tightly closed to prevent moisture absorption and contamination. Store away from incompatible materials such as strong oxidizing agents and bases. The storage area should be equipped with appropriate containment measures to prevent environmental release, considering its aquatic toxicity classification. Regular inspection of containers for damage or deterioration is recommended.
What to do in case of contact with 5,7-dichloro-4-oxo-1H-quinoline-3-carboxylic acid?
In case of skin contact with 5,7-dichloro-4-oxo-1H-quinoline-3-carboxylic acid, immediately wash the affected area with plenty of water and mild soap for at least 15 minutes. For eye contact, flush thoroughly with clean water for at least 15 minutes while holding eyelids open. If inhaled, move to fresh air immediately. Remove contaminated clothing and wash before reuse. Seek medical attention if irritation persists or if large amounts were involved. Do not induce vomiting if ingested and seek immediate medical advice.
How to dispose of 5,7-dichloro-4-oxo-1H-quinoline-3-carboxylic acid properly?
5,7-dichloro-4-oxo-1H-quinoline-3-carboxylic acid must be disposed of through licensed waste management companies specializing in chemical waste disposal. Due to its Aquatic Chronic 2 classification, it cannot be discharged into sewers, waterways, or soil. Collect waste in appropriate containers labeled with contents and hazard information. Small laboratory quantities may be suitable for high-temperature incineration at approved facilities. Consult local environmental regulations and waste disposal guidelines, as requirements may vary by jurisdiction within Europe.
How to transport 5,7-dichloro-4-oxo-1H-quinoline-3-carboxylic acid?
5,7-dichloro-4-oxo-1H-quinoline-3-carboxylic acid is classified as ADR Class 9 (Miscellaneous Dangerous Substances), Packing Group III for transportation purposes. This classification requires appropriate packaging, labeling, and documentation according to ADR regulations. Packages must display the Class 9 hazard label and proper shipping name. Transportation should be conducted by carriers licensed for dangerous goods transport. Ensure vehicles are properly equipped and drivers are trained in ADR requirements for Class 9 substances.
Is 5,7-dichloro-4-oxo-1H-quinoline-3-carboxylic acid subject to special regulations?
5,7-dichloro-4-oxo-1H-quinoline-3-carboxylic acid is subject to standard REACH and CLP regulations within the European Union but is not classified as a Substance of Very High Concern (SVHC). It must be properly classified and labeled according to CLP with the GHS09 pictogram for environmental hazards due to its Aquatic Chronic 2 classification. Users must comply with safety data sheet requirements, exposure assessment obligations, and environmental protection measures. No special authorization requirements apply under current REACH regulations.
Where to buy 5,7-dichloro-4-oxo-1H-quinoline-3-carboxylic acid in Europe?
5,7-dichloro-4-oxo-1H-quinoline-3-carboxylic acid is available through OYSI, a specialized European distributor of chemical products serving research institutions and industrial customers. OYSI provides reliable supply chains across Europe with proper documentation, safety data sheets, and regulatory compliance support. As a professional chemical distributor, OYSI ensures product quality, appropriate packaging, and adherence to transportation regulations. Contact OYSI directly for availability, technical specifications, and delivery arrangements to your specific European location.
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5,7-dichloro-4-oxo-1H-quinoline-3-carboxylic acid is a dangerous good. We support you with labeling, packaging, and transport documentation.
Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.