5,7-dichloro-4-oxo-1H-quinoline-3-carboxylic acid

C10H5Cl2NO3

CAS171850-30-9
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt

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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 halogenated quinoline derivative with distinctive dichloro substitution and carboxylic functionality. This specialized quinoline compound represents an important class of heterocyclic organic chemicals characterized by its unique structural features. With a molecular formula of C10H5Cl2NO3 and molecular weight of 258.05 g/mol, this dichlorinated quinoline derivative exhibits specific chemical properties that make it valuable for various industrial applications. The presence of chlorine substituents at positions 5 and 7, combined with the carboxylic acid group at position 3 and the ketone functionality at position 4, creates a distinctive reactivity profile that distinguishes it from other quinoline compounds. The compound belongs to a broader family of chlorinated aromatic compounds, sharing certain structural similarities with other halogenated substances such as 4-[9-(4-amino-3-chlorophenyl)fluoren-9-yl]-2-chloroaniline, though with distinctly different applications due to its quinoline backbone. From a safety perspective, this substance is classified under GHS09 pictogram with Aquatic Chronic 2 hazard classification, indicating potential long-term environmental effects on aquatic organisms. Transportation falls under ADR Class 9 miscellaneous dangerous goods. Primary industrial applications include use as an intermediate in pharmaceutical synthesis, as a building block in agrochemical development, and in specialty chemical manufacturing where its unique quinoline structure provides specific reactivity patterns. The compound's carboxylic acid functionality enables further derivatization for custom synthesis requirements. OYSI maintains reliable supply chains for 5,7-dichloro-4-oxo-1H-quinoline-3-carboxylic acid, supporting European industrial customers with consistent quality and technical expertise.

Safety & Classification

Classification:

Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H411

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 Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping Name5,7-Dichlor-4-hydroxychinolin-3-carbonsäure
Marine PollutantNo

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 organic compound belonging to the quinoline carboxylic acid family. With the molecular formula C10H5Cl2NO3 and CAS number 171850-30-9, this chlorinated quinoline derivative has a molecular weight of 258.05 g/mol. The compound features two chlorine substituents at positions 5 and 7 of the quinoline ring system, along with a carboxylic acid group at position 3 and a ketone function at position 4.

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 a solid crystalline compound at room temperature. As a quinoline derivative with chlorine substituents and carboxylic acid functionality, it typically appears as a pale yellow to off-white powder. The compound exhibits limited water solubility due to its aromatic structure, but may dissolve in polar organic solvents and alkaline solutions due to the carboxylic acid group. Its melting point and other specific physical properties require laboratory determination.

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 and fine chemical synthesis. Quinoline carboxylic acid derivatives are important building blocks for developing antimicrobial agents, particularly fluoroquinolone antibiotics. This specific compound may serve as a precursor for synthesizing various bioactive molecules or as a research chemical in medicinal chemistry applications. Its chlorinated structure makes it valuable for further chemical modifications and drug development processes.

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. Wear appropriate personal protective equipment including safety glasses, gloves, and lab coat. Work in a well-ventilated area or under a fume hood to avoid inhalation of dust particles. As it is classified as Aquatic Chronic 2, prevent environmental release. Use proper weighing techniques to minimize dust generation and ensure good hygiene practices by washing hands after handling.

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 tightly sealed containers in a cool, dry, well-ventilated area away from direct sunlight. Keep the compound at room temperature or below to maintain stability. Store away from strong oxidizing agents and bases that might react with the carboxylic acid group. Ensure containers are properly labeled and stored in designated chemical storage areas with appropriate secondary containment to prevent environmental contamination.

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 soap and water for at least 15 minutes. For eye contact, rinse thoroughly with clean water for 15 minutes and seek medical attention. If inhaled, move to fresh air immediately. In case of ingestion, do not induce vomiting and seek immediate medical attention. Remove contaminated clothing and wash before reuse. Always consult a physician if irritation persists.

How to dispose of 5,7-dichloro-4-oxo-1H-quinoline-3-carboxylic acid appropriately?

5,7-dichloro-4-oxo-1H-quinoline-3-carboxylic acid must be disposed of as hazardous chemical waste through licensed waste management companies. Due to its Aquatic Chronic 2 classification, prevent release to water systems or soil. Collect waste in appropriate containers, clearly labeled with contents and hazard information. Small quantities may be suitable for incineration at authorized high-temperature facilities. Always follow local, national, and EU waste regulations, and consult your waste disposal contractor for specific guidance on quinoline derivatives.

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 goods), Packing Group III. Transport requires appropriate UN specification packaging and proper shipping documentation. Packages must be clearly marked and labeled with the correct shipping name and UN number. Ensure vehicles are properly placarded and drivers hold appropriate dangerous goods training certificates. Follow ADR regulations for loading, segregation, and documentation requirements during European transport.

Is 5,7-dichloro-4-oxo-1H-quinoline-3-carboxylic acid subject to specific regulations?

5,7-dichloro-4-oxo-1H-quinoline-3-carboxylic acid is subject to REACH regulation requiring registration for manufacture or import above 1 tonne per year. Under CLP regulation, it is classified as Aquatic Chronic 2 requiring GHS09 environmental pictogram on labels. The compound is not currently listed as SVHC (Substance of Very High Concern). Users must comply with safety data sheet requirements and ensure appropriate risk assessments are conducted for intended uses within their chemical safety programs.

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 fine chemicals and pharmaceutical intermediates. OYSI offers reliable supply chains across Europe with proper regulatory compliance and documentation. As a technical chemical distributor, OYSI ensures products meet quality specifications and provides comprehensive safety data sheets and certificates of analysis. Contact OYSI directly for availability, specifications, packaging options, and delivery throughout European markets.

Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.