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 dicoumarol anticoagulant compound with potent blood-thinning properties and hepatotoxic potential. This dicoumarol derivative represents a naturally occurring anticoagulant compound that belongs to the coumarin family of organic molecules. With the molecular formula C19H12O6 and a molecular weight of 336.3 g/mol, this substance exhibits significant biological activity through its interference with vitamin K-dependent coagulation factors. The compound features a distinctive bis-coumarin structure, consisting of two 4-hydroxycoumarin units connected via a methylene bridge, which contributes to its potent anticoagulant properties. The substance presents considerable safety concerns, classified under multiple hazard categories including Acute Toxicity Category 4, Specific Target Organ Toxicity Repeat Exposure Category 1, and Aquatic Chronic Toxicity Category 2. The presence of GHS07, GHS08, and GHS09 pictograms indicates acute toxicity, serious health hazards, and environmental dangers respectively. Its ADR classification as Class 6.1 confirms its status as a toxic substance requiring specialized handling and transportation procedures. The "Danger" signal word emphasizes the need for stringent safety protocols during storage, handling, and processing operations. Industrial applications of this dicoumarol compound primarily focus on pharmaceutical research and development, particularly in anticoagulant drug formulation studies. The substance also finds use in biochemical research for investigating coagulation mechanisms and as a reference standard in analytical laboratories. Unlike simpler aromatic compounds such as benzene-1,3-diol, this complex coumarin derivative requires specialized expertise for safe handling and application. OYSI provides this specialized anticoagulant compound to qualified industrial customers across Europe, ensuring proper documentation and regulatory compliance for all shipments.

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 synthetic organic compound with the molecular formula C19H12O6 and CAS number 66-76-2. This chromen-2-one derivative has a molecular weight of 336.3 g/mol and belongs to the coumarin family of compounds. It is classified as a hazardous substance with acute toxicity potential and specific target organ toxicity properties, requiring careful handling in industrial and laboratory 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 a molecular weight of 336.3 g/mol. The substance contains multiple hydroxyl groups and aromatic rings, which influence its solubility characteristics. Its chromen-2-one structure provides stability under normal conditions. The compound exhibits properties typical of coumarin derivatives, including potential for crystalline structure formation and specific optical properties due to its conjugated aromatic system.

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 is primarily used in specialized chemical synthesis and research applications. As a coumarin derivative, it may serve as an intermediate in pharmaceutical research, organic synthesis, or analytical chemistry applications. The compound's specific structure makes it valuable for developing other chemical compounds or as a reference standard in analytical procedures. Industrial applications are typically limited to specialized chemical manufacturing processes.

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. Use appropriate personal protective equipment including safety goggles, gloves, and respiratory protection when necessary. Work in well-ventilated areas or under fume hoods to minimize inhalation exposure. Avoid direct skin and eye contact, and prevent ingestion. Follow proper hygiene practices including thorough handwashing 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 closed and clearly labeled with appropriate hazard warnings. Store separately from incompatible materials and ensure access is restricted to authorized personnel only. Maintain storage areas with appropriate spill containment measures and ensure compliance with local regulations for hazardous chemical storage.

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

Immediate action is required upon contact with 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one. For skin contact, remove contaminated clothing and rinse thoroughly with water for at least 15 minutes. In case of eye contact, flush immediately with clean water for 15 minutes while holding eyelids open. If inhaled, move to fresh air immediately. If ingested, do not induce vomiting and seek immediate medical attention. Always consult a physician and provide the safety data sheet.

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

4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one must be disposed of as hazardous waste in accordance with local, national, and international regulations. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Do not discharge into drains, waterways, or soil due to its environmental hazard classification (Aquatic Chronic 2). Empty containers should also be treated as hazardous waste. Maintain proper documentation of disposal activities as required by regulations.

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 (toxic substances), Packing Group III. Transportation requires appropriate packaging, labeling, and documentation according to dangerous goods regulations. Packages must display proper hazard labels and shipping names. Ensure compliance with ADR/RID regulations for road/rail transport and IMDG/IATA codes for sea/air transport. Only use authorized carriers experienced in handling toxic substances.

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 various chemical regulations including REACH registration requirements in the European Union. The substance is classified under CLP regulation with specific hazard classes (Acute Tox. 4, STOT RE 1, Aquatic Chronic 2). It is not currently identified as a Substance of Very High Concern (SVHC). Users must comply with occupational health and safety regulations and environmental protection requirements in their respective jurisdictions.

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 chemical products. OYSI provides reliable supply of this compound to industrial and research customers across Europe. As an established chemical distributor, OYSI ensures proper handling, packaging, and documentation compliance with European regulations. Contact OYSI directly for availability, specifications, and delivery options to your location within Europe.

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.