Oxolan-2-ylmethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
C22H21ClN2O5
oxolan-2-ylmethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
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Identification
- CAS Number
- 200509-41-7
- EC Number
- 414-200-4
- UN Number
- 3077
- Index Number
- 607-373-00-4
- PubChem CID
- 14601092
Physical-chemical properties
- Molecular Formula
- C22H21ClN2O5
- Molar Mass
- 428.90 g/mol
- IUPAC Name
- oxolan-2-ylmethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
Chemical Identifiers
- InChI
- InChI=1S/C22H21ClN2O5/c1-14(22(26)28-13-18-3-2-10-27-18)29-16-5-7-17(8-6-16)30-21-12-24-20-11-15(23)4-9-19(20)25-21/h4-9,11-12,14,18H,2-3,10,13H2,1H3/t14-,18?/m1/s1
- InChI Key
- BBKDWPHJZANJGB-IKJXHCRLSA-N
Overview
Oxolan-2-ylmethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate (CAS 200509-41-7) is a chlorinated quinoxaline derivative with complex aromatic ether linkages and chiral stereochemistry. This specialized chemical compound, with molecular formula C22H21ClN2O5 and molecular weight 428.9 g/mol, represents a sophisticated synthetic molecule featuring multiple functional groups including quinoxaline, phenoxy ether, and tetrahydrofuran moieties. The presence of the 6-chloroquinoxalin-2-yl substituent provides unique electronic properties, while the oxolan-2-ylmethyl ester group contributes to its solubility characteristics and potential bioavailability profile. The (2R) stereocenter adds chirality to the molecule, which can be crucial for its biological activity and selectivity. From a safety perspective, this compound requires careful handling due to its classification under multiple hazard categories. It carries warnings for potential carcinogenicity (Carc. 2), reproductive toxicity (Repr. 2), acute toxicity (Acute Tox. 4), and specific target organ toxicity (STOT RE 2). Additionally, it presents significant environmental concerns with aquatic toxicity classifications (Aquatic Acute 1; Aquatic Chronic 1), requiring appropriate containment and disposal protocols. The compound falls under ADR Class 9 for transportation purposes and displays GHS pictograms GHS08, GHS07, and GHS09. Industrial applications typically include use as an advanced pharmaceutical intermediate, agricultural chemical precursor, and specialized research reagent. Unlike simpler aromatic compounds such as 1,4-dichlorobenzene, this molecule's complex structure makes it valuable for targeted synthetic applications. Its quinoxaline core structure shares some characteristics with other heterocyclic compounds, though its specific substitution pattern provides unique reactivity profiles. OYSI maintains reliable supply chains for this specialized chemical, ensuring consistent availability for qualified industrial customers across Europe.
Safety & Classification
Carc. 2; Repr. 2; Acute Tox. 4; STOT RE 2; Aquatic Acute 1; Aquatic Chronic 1
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
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
Ingestion
Measures if substance is accidentally swallowed
First Aid Actions
- +P301IF SWALLOWED:
- +P330Rinse mouth.
- +P331Do NOT induce vomiting.
- +P310Immediately call a POISON CENTER/doctor.
Related hazard statements:
General Measures
Emergency 112 | Poison Control: +49 30 19240 (DE), +33 1 45 42 59 59 (FR), +31 30 274 88 88 (NL)
First aid measures are based on CLP classification and associated P-statements. They do not replace the Safety Data Sheet (SDS). In case of emergency, always consult the full SDS and a physician.
Transport (ADR)
| UN Number | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | Quizalofop-P-tefuryl (ISO), rein, fest |
| Marine Pollutant | No |
Frequently Asked Questions
What is oxolan-2-ylmethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate?
Oxolan-2-ylmethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate is a synthetic organic compound with CAS number 200509-41-7 and molecular formula C22H21ClN2O5. This complex molecule features a quinoxaline core structure with chlorine substitution, linked to a propanoate ester group through phenoxy bridges. With a molecular weight of 428.9 g/mol, it is classified as hazardous due to its potential carcinogenic and reproductive toxicity properties.
What are the physicochemical properties of oxolan-2-ylmethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate?
Oxolan-2-ylmethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate is an organic solid with a molecular weight of 428.9 g/mol. The compound contains multiple functional groups including ester, ether, and heterocyclic moieties, which influence its solubility and stability characteristics. Its complex structure with aromatic rings and polar groups suggests moderate polarity. Specific physical parameters such as melting point, boiling point, and exact solubility data require laboratory determination.
What is oxolan-2-ylmethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate used for?
Oxolan-2-ylmethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate is primarily utilized in specialized chemical synthesis and pharmaceutical research applications. The quinoxaline structure suggests potential use in developing biologically active compounds, as quinoxalines are known pharmacophores in medicinal chemistry. Its complex architecture makes it valuable for advanced organic synthesis projects and as an intermediate in the production of more complex molecules. Industrial applications are typically limited to specialized chemical manufacturing processes.
How should oxolan-2-ylmethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate be handled safely?
Oxolan-2-ylmethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate requires careful handling due to its Category 2 carcinogenic and reproductive toxicity classification. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and respiratory protection when handling powders or solutions. Work should be conducted in well-ventilated areas or under fume extraction systems. Avoid skin contact, inhalation, and ingestion. Implement strict hygiene measures including hand washing and contaminated clothing removal before leaving work areas.
How should oxolan-2-ylmethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate be stored properly?
Oxolan-2-ylmethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from incompatible materials. Due to its hazardous classification, storage areas must be secured with restricted access and appropriate warning signage. Avoid exposure to heat, direct sunlight, and moisture which may cause degradation. Separate from oxidizing agents, strong acids, and bases. Regular inventory checks and proper labeling are essential for safe storage management.
What should be done in case of contact with oxolan-2-ylmethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate?
Immediate action is required for any contact with oxolan-2-ylmethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate due to its toxicity profile. For skin contact, remove contaminated clothing and rinse affected area with plenty of water for at least 15 minutes. In case of eye contact, flush immediately with water and seek medical attention. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical help. Always consult a physician and provide the safety data sheet.
How should oxolan-2-ylmethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate be disposed of appropriately?
Oxolan-2-ylmethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate must be disposed of as hazardous waste due to its toxic and environmental hazard classifications. Disposal must comply with local, national, and EU waste regulations including the Waste Framework Directive. Contact licensed hazardous waste disposal companies for proper treatment and destruction, typically through high-temperature incineration. Never discharge into sewers, water courses, or soil. Contaminated packaging should also be treated as hazardous waste unless properly decontaminated.
How should oxolan-2-ylmethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate be transported?
Oxolan-2-ylmethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate is classified as ADR Class 9 (Miscellaneous Dangerous Goods), Packing Group III for transportation purposes. This classification requires appropriate UN-specification packaging, proper labeling with Class 9 hazard labels, and transport documentation including shipping papers. Vehicles must carry appropriate emergency equipment and drivers need ADR training certification. The compound's aquatic toxicity requires additional environmental precautions during transport to prevent accidental release into waterways.
Is oxolan-2-ylmethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate subject to specific regulations?
Oxolan-2-ylmethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate is subject to comprehensive EU chemical regulations including REACH registration requirements and CLP classification obligations. While not currently listed as a Substance of Very High Concern (SVHC), its Category 2 carcinogenic and reproductive toxicity classification triggers strict handling, labeling, and risk assessment requirements. Companies must implement appropriate risk management measures and provide safety data sheets. Import/export may require additional permits depending on quantities and end-use applications.
Where can I purchase oxolan-2-ylmethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate in Europe?
Oxolan-2-ylmethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate is available through OYSI, a leading European distributor of specialty chemicals. As an established supplier network across Europe, OYSI can provide this compound with full regulatory compliance documentation including safety data sheets and certificates of analysis. Due to the compound's hazardous classification, purchases require verification of appropriate handling facilities and qualified personnel. Contact OYSI's technical sales team for availability, specifications, and regulatory support for your specific application requirements.
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Oxolan-2-ylmethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate 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.