(2S)-6-fluoro-2-[(2R)-oxiran-2-yl]-3,4-dihydro-2H-chromene

C11H11FO2

CAS793669-26-8
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt

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Identification

CAS Number
793669-26-8
EC Number
419-630-6
UN Number
3082
Index Number
613-228-00-6
PubChem CID
51698391

Physical-chemical properties

Molecular Formula
C11H11FO2
Molar Mass
194.20 g/mol
IUPAC Name
(2S)-6-fluoro-2-[(2R)-oxiran-2-yl]-3,4-dihydro-2H-chromene

Chemical Identifiers

InChI
InChI=1S/C11H11FO2/c12-8-2-4-9-7(5-8)1-3-10(14-9)11-6-13-11/h2,4-5,10-11H,1,3,6H2/t10-,11+/m0/s1
InChI Key
GVZDIJGBXSDSEP-WDEREUQCSA-N

Overview

(2S)-6-fluoro-2-[(2R)-oxiran-2-yl]-3,4-dihydro-2H-chromene (CAS 793669-26-8) is a fluorinated chromene derivative with an epoxide functional group and specific stereochemical configuration. This specialized organic compound belongs to the chromene family, characterized by its benzopyran core structure with additional fluorine substitution and an oxirane ring. With a molecular formula of C11H11FO2 and molecular weight of 194.2 g/mol, this substance exhibits unique chemical properties due to the combination of its fluorinated aromatic system and reactive epoxide functionality. The stereochemical designation (2S,2R) indicates the precise three-dimensional arrangement of atoms, which is crucial for its biological and chemical activity. From a safety perspective, this compound is classified under Aquatic Chronic 2 according to GHS standards, displaying the GHS09 pictogram indicating environmental hazards. It falls under ADR Class 9 for transportation purposes, designating it as a miscellaneous dangerous substance requiring appropriate handling protocols during shipment and storage. The presence of both fluorine and epoxide groups makes this chromene derivative particularly valuable in pharmaceutical intermediate synthesis and specialty chemical applications. Its structural similarity to other complex organic compounds like N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide demonstrates its relevance in advanced chemical manufacturing processes. Common industrial applications include use as a building block in drug discovery programs, specialty polymer synthesis, and as an intermediate in the production of bioactive compounds where stereochemical precision is essential. OYSI maintains reliable supply chains for this specialized chromene derivative, ensuring consistent availability for European industrial customers requiring high-quality pharmaceutical and chemical intermediates.

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 Number3082
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping Name(+/-)-(R*,S*)-6-Fluor-3,4-dihydro-2-oxiranyl-2H-1-benzopyran
Marine PollutantNo

Frequently Asked Questions

What is (2S)-6-fluoro-2-[(2R)-oxiran-2-yl]-3,4-dihydro-2H-chromene?

(2S)-6-fluoro-2-[(2R)-oxiran-2-yl]-3,4-dihydro-2H-chromene is a fluorinated organic compound with the molecular formula C11H11FO2 and a molecular weight of 194.2 g/mol. This chiral molecule features a chromene ring system substituted with a fluorine atom and an epoxide group, giving it specific stereochemical properties. The compound is classified under CAS number 793669-26-8 and presents environmental hazards as indicated by its Aquatic Chronic 2 classification.

What are the physicochemical properties of (2S)-6-fluoro-2-[(2R)-oxiran-2-yl]-3,4-dihydro-2H-chromene?

(2S)-6-fluoro-2-[(2R)-oxiran-2-yl]-3,4-dihydro-2H-chromene is an organic compound with a molecular weight of 194.2 g/mol and formula C11H11FO2. The presence of both fluorine and epoxide functional groups influences its reactivity and solubility characteristics. As a chromene derivative, it likely exhibits moderate polarity. The specific physical properties such as melting point, boiling point, and exact solubility data should be confirmed through technical documentation due to the specialized nature of this compound.

What is (2S)-6-fluoro-2-[(2R)-oxiran-2-yl]-3,4-dihydro-2H-chromene used for?

(2S)-6-fluoro-2-[(2R)-oxiran-2-yl]-3,4-dihydro-2H-chromene is primarily used as a specialized chemical intermediate in pharmaceutical and fine chemical synthesis. The compound's unique stereochemistry and functional groups make it valuable for developing complex organic molecules. Its chromene structure and reactive epoxide group allow for further chemical modifications in research and development applications. The fluorine substitution often enhances biological activity and stability in pharmaceutical applications.

How to handle (2S)-6-fluoro-2-[(2R)-oxiran-2-yl]-3,4-dihydro-2H-chromene safely?

(2S)-6-fluoro-2-[(2R)-oxiran-2-yl]-3,4-dihydro-2H-chromene should be handled with standard laboratory safety precautions including wearing appropriate personal protective equipment such as safety glasses, chemical-resistant gloves, and lab coats. Work in well-ventilated areas or under a fume hood to avoid inhalation exposure. Given its environmental classification (Aquatic Chronic 2), prevent environmental release. Handle containers carefully to avoid spills and ensure proper grounding when transferring the material to prevent static buildup.

How to store (2S)-6-fluoro-2-[(2R)-oxiran-2-yl]-3,4-dihydro-2H-chromene correctly?

(2S)-6-fluoro-2-[(2R)-oxiran-2-yl]-3,4-dihydro-2H-chromene should be stored in a cool, dry place away from direct sunlight and heat sources. Keep containers tightly sealed to prevent contamination and degradation. Given the presence of the reactive epoxide group, avoid storage near strong acids or bases that could catalyze ring opening. Store in appropriate secondary containment to prevent environmental release, considering its Aquatic Chronic 2 classification. Maintain proper inventory management and labeling according to GHS requirements.

What to do in case of contact with (2S)-6-fluoro-2-[(2R)-oxiran-2-yl]-3,4-dihydro-2H-chromene?

Immediate action for contact with (2S)-6-fluoro-2-[(2R)-oxiran-2-yl]-3,4-dihydro-2H-chromene involves removing contaminated clothing and flushing affected skin or eyes with plenty of water for at least 15 minutes. If inhaled, move the person to fresh air immediately. For eye contact, hold eyelids open while flushing. Do not induce vomiting if ingested. Seek medical attention if symptoms develop or persist. Have the safety data sheet available for medical personnel and report any significant exposure incidents.

How to dispose of (2S)-6-fluoro-2-[(2R)-oxiran-2-yl]-3,4-dihydro-2H-chromene appropriately?

(2S)-6-fluoro-2-[(2R)-oxiran-2-yl]-3,4-dihydro-2H-chromene must be disposed of through licensed hazardous waste disposal facilities in accordance with local and national environmental regulations. Due to its Aquatic Chronic 2 classification, prevent any release to water systems or soil. Do not dispose of via regular waste streams or pour down drains. Collect waste in appropriate containers, properly labeled according to waste classification requirements. Consult local authorities for specific disposal requirements and approved waste contractors.

How to transport (2S)-6-fluoro-2-[(2R)-oxiran-2-yl]-3,4-dihydro-2H-chromene?

(2S)-6-fluoro-2-[(2R)-oxiran-2-yl]-3,4-dihydro-2H-chromene is classified under ADR Class 9 (Miscellaneous Dangerous Substances), Packing Group III for transportation purposes. This classification requires specific packaging, labeling, and documentation according to dangerous goods regulations. Use UN-approved packaging appropriate for Class 9 materials and ensure proper hazard labels are affixed. Transport documentation must include proper shipping names and hazard classifications. Carriers must be qualified for dangerous goods transport and follow ADR requirements.

Is (2S)-6-fluoro-2-[(2R)-oxiran-2-yl]-3,4-dihydro-2H-chromene subject to specific regulations?

(2S)-6-fluoro-2-[(2R)-oxiran-2-yl]-3,4-dihydro-2H-chromene is subject to standard chemical regulations including REACH registration requirements in the European Union and CLP classification as Aquatic Chronic 2. It is not currently listed as a Substance of Very High Concern (SVHC). The compound must be handled according to its GHS09 environmental hazard pictogram requirements. Users must comply with workplace exposure limits, environmental protection measures, and proper waste disposal regulations as established by local and international chemical safety authorities.

Where to buy (2S)-6-fluoro-2-[(2R)-oxiran-2-yl]-3,4-dihydro-2H-chromene in Europe?

(2S)-6-fluoro-2-[(2R)-oxiran-2-yl]-3,4-dihydro-2H-chromene is available through OYSI, a specialized European distributor of technical chemicals and pharmaceutical intermediates. OYSI provides this compound with proper documentation including certificates of analysis, safety data sheets, and regulatory compliance information. As a specialized chemical intermediate, availability may require advance ordering and minimum quantity requirements. Contact OYSI directly for current pricing, specifications, packaging options, and delivery schedules throughout Europe.

Data Sources

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