4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one

C19H12O6

CAS66-76-2
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
66-76-2
EC Number
200-632-9
UN Number
3027
Index Number
607-060-00-2
PubChem CID
54676038

Physical-chemical properties

Molecular Formula
C19H12O6
Molar Mass
336.30 g/mol
IUPAC Name
4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one

Chemical Identifiers

InChI
InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2
InChI Key
DOBMPNYZJYQDGZ-UHFFFAOYSA-N

Overview

4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one (CAS 66-76-2) is a synthetic coumarin derivative anticoagulant compound with potent blood-thinning properties and hepatotoxic potential. This dicoumarol compound represents a significant molecule in the pharmaceutical and chemical industries, characterized by its complex bicyclic structure featuring two linked hydroxycoumarin units. With the molecular formula C19H12O6 and a molecular weight of 336.3 g/mol, this substance exhibits distinctive anticoagulant properties that have made it valuable in various industrial applications. The compound is classified under multiple hazard categories, including Acute Toxicity Category 4, Specific Target Organ Toxicity Repeated Exposure Category 1, and Aquatic Chronic Toxicity Category 2, requiring careful handling protocols and appropriate safety measures. The substance's chemical structure, comprising two 4-hydroxycoumarin moieties connected by a methylene bridge, contributes to its biological activity and stability characteristics. Unlike simpler aromatic compounds such as benzene-1,3-diol, this dicoumarol derivative demonstrates significantly more complex pharmacological properties due to its extended conjugated system and multiple hydroxyl functionalities. Primary industrial applications include pharmaceutical intermediate synthesis, particularly in anticoagulant drug development, research and development activities in medicinal chemistry, and specialized chemical manufacturing processes. The compound's unique structural features make it valuable for developing novel therapeutic agents and conducting biochemical research studies. Safety considerations are paramount when handling this material, as indicated by the GHS07, GHS08, and GHS09 pictograms and its ADR Class 6.1 classification. Proper storage, handling procedures, and personal protective equipment are essential to ensure workplace safety and environmental protection. OYSI provides this specialized dicoumarol compound to qualified industrial customers across Europe, supporting pharmaceutical research and chemical manufacturing requirements.

Safety & Classification

Danger
Classification:

Acute Tox. 4 *; STOT RE 1; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful if swallowed.

H372

Causes damage to organs through prolonged or repeated exposure.

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

Ingestion

Harmful

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 Number3027
ADR Class6.1
Packing GroupIII
Tunnel CodeE
Proper Shipping NameDicoumarol
Marine PollutantNo

Frequently Asked Questions

What is 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one?

4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one is a dicoumarol compound with CAS number 66-76-2 and molecular formula C19H12O6. This organic compound has a molecular weight of 336.3 g/mol and belongs to the coumarin family. It is classified as hazardous with acute toxicity, specific target organ toxicity, and aquatic chronic toxicity properties, requiring careful handling in industrial applications.

What are the physicochemical properties of 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one?

4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one is an organic solid compound with the molecular formula C19H12O6 and a molecular mass of 336.3 g/mol. As a dicoumarol derivative, it typically appears as a crystalline solid at room temperature. The compound contains multiple hydroxyl and carbonyl functional groups, which influence its solubility characteristics and chemical reactivity in various solvents and reaction conditions.

What is 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one used for?

4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one serves as an important intermediate in pharmaceutical and chemical synthesis applications. This dicoumarol compound is utilized in research and development processes, particularly in the production of anticoagulant medications and related pharmaceutical compounds. Its coumarin structure makes it valuable for specialized chemical manufacturing processes requiring specific organic intermediates with defined molecular properties.

How to handle 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one safely?

4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one requires careful handling due to its Acute Tox. 4 and STOT RE 1 classifications. Essential safety measures include wearing appropriate personal protective equipment such as chemical-resistant gloves, safety goggles, and respiratory protection. Work in well-ventilated areas or under fume hoods to minimize inhalation exposure. Avoid direct skin and eye contact, and implement proper hygiene practices including thorough hand washing after handling.

How to store 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one correctly?

4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one should be stored in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Keep containers tightly sealed and clearly labeled with hazard information. Store separately from incompatible materials and ensure access is restricted to authorized personnel only. The storage area should be equipped with appropriate spill containment measures and emergency equipment, following local safety regulations for toxic substances.

What to do in case of contact with 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one?

Immediate medical attention is required for any exposure to 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one due to its acute toxicity. For skin contact, remove contaminated clothing and rinse thoroughly with water for at least 15 minutes. If inhaled, move to fresh air immediately. For eye contact, flush with clean water for 15 minutes while holding eyelids open. Never induce vomiting if ingested. Contact emergency medical services and provide safety data sheet information to medical personnel.

How to dispose of 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one appropriately?

4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one must be disposed of through licensed hazardous waste disposal facilities in accordance with local, national, and EU waste regulations. The compound cannot be disposed of in regular waste streams due to its toxic properties and aquatic chronic toxicity classification. Container disposal should follow the same hazardous waste protocols. Consult local environmental authorities for specific disposal requirements and approved waste management contractors.

How to transport 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one?

4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one is classified under ADR Class 6.1, Packing Group III for transportation of toxic substances. Transport requires proper UN-specification packaging, appropriate hazard labels, and transport documentation. The compound must be transported by qualified carriers with ADR certification for dangerous goods. Ensure packages are properly secured, labeled with correct hazard pictograms, and accompanied by safety data sheets during transit throughout Europe.

Is 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one subject to specific regulations?

4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one is subject to REACH regulation requiring registration for import/manufacture above one tonne annually in the EU. The compound is classified under CLP regulation with GHS pictograms GHS07, GHS08, and GHS09, requiring appropriate labeling and safety data sheets. While not currently listed as an SVHC substance, its toxic properties mean it may be subject to additional workplace exposure limits and environmental discharge restrictions.

Where to buy 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one in Europe?

4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound to qualified industrial and research customers across Europe, ensuring full regulatory compliance including proper documentation, safety data sheets, and appropriate packaging for ADR Class 6.1 transportation requirements. Contact OYSI directly to discuss availability, specifications, and delivery options for your specific application requirements.

Services for 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one

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4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one is a dangerous good. We support you with labeling, packaging, and transport documentation.

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Data Sources

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