4-hydroxy-3-[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one
C33H25F3O4
Consulting for 4-hydroxy-3-[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one
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Identification
- CAS Number
- 90035-08-8
- EC Number
- 421-960-0
- UN Number
- 3027
- Index Number
- 607-375-00-5
- PubChem CID
- 54698175
Physical-chemical properties
- Molecular Formula
- C33H25F3O4
- Molar Mass
- 542.50 g/mol
- IUPAC Name
- 4-hydroxy-3-[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one
Chemical Identifiers
- InChI
- InChI=1S/C33H25F3O4/c34-33(35,36)24-13-9-20(10-14-24)19-39-25-15-11-21(12-16-25)23-17-22-5-1-2-6-26(22)28(18-23)30-31(37)27-7-3-4-8-29(27)40-32(30)38/h1-16,23,28,37H,17-19H2
- InChI Key
- KKBGNYHHEIAGOH-UHFFFAOYSA-N
Overview
4-hydroxy-3-[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one (CAS 90035-08-8) is a complex synthetic organic compound featuring anticoagulant properties with highly toxic characteristics. This sophisticated chromen-2-one derivative represents a specialized pharmaceutical intermediate with a molecular weight of 542.5 g/mol and formula C33H25F3O4. The compound incorporates multiple aromatic ring systems, including a tetrahydronaphthalene moiety and a trifluoromethyl-substituted benzene ring connected through an ether linkage, contributing to its distinctive pharmacological profile. Its structural complexity places it within the same chemical family as other coumarin-based compounds, though it exhibits significantly different properties compared to simpler derivatives like 4-hydroxy-3-[3-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one. The substance presents severe safety concerns, classified as Reproductive Category 1B and Acute Toxicity Category 1 across multiple exposure routes. Its hazard profile includes organ toxicity following repeated exposure (STOT RE 1) and significant aquatic toxicity. The compound requires ADR Class 6.1 transportation protocols and displays GHS pictograms for health hazards, acute toxicity, and environmental dangers. These characteristics necessitate stringent handling procedures, specialized storage conditions, and comprehensive safety training for personnel. Industrial applications primarily focus on pharmaceutical research and development, particularly in anticoagulant drug synthesis and cardiovascular therapeutic research. The compound also serves specialized roles in biochemical research applications where its unique structural features provide valuable research tools for studying blood coagulation mechanisms. OYSI maintains availability of this specialized compound for qualified industrial and research customers, supporting European pharmaceutical and chemical research sectors with comprehensive technical documentation and regulatory compliance assistance.
Safety & Classification
Repr. 1B; Acute Tox. 1; Acute Tox. 1; Acute Tox. 1; STOT RE 1; 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
Inhalation
Measures if vapours or dust are inhaled
First Aid Actions
- +P304IF INHALED:
- +P340Remove person to fresh air and keep comfortable for breathing.
- +P311Call a POISON CENTER/doctor.
Related hazard statements:
Skin Contact
Measures if substance contacts the skin
First Aid Actions
- +P302IF ON SKIN:
- +P352Wash with plenty of water.
- +P361Take off immediately all contaminated clothing.
- +P313Get medical advice/attention.
Related hazard statements:
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 | 3027 |
| ADR Class | 6.1 |
| Packing Group | I |
| Tunnel Code | C/E |
| Proper Shipping Name | Flocoumafen (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is 4-hydroxy-3-[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one?
4-hydroxy-3-[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one is a complex organic compound with CAS number 90035-08-8 and molecular formula C33H25F3O4. This chromen-2-one derivative has a molecular weight of 542.5 g/mol and features multiple aromatic rings including a trifluoromethyl-substituted phenyl group. The compound is classified as highly hazardous with reproductive toxicity and acute toxicity properties, requiring specialized handling procedures.
What are the physicochemical properties of 4-hydroxy-3-[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one?
This compound is a complex organic molecule with molecular formula C33H25F3O4 and molecular weight 542.5 g/mol. The presence of multiple aromatic rings and the trifluoromethyl group suggests limited water solubility and good stability under normal conditions. The chromen-2-one structure indicates potential UV absorption properties. Specific physical properties such as melting point, boiling point, and exact solubility data would require detailed analytical characterization for precise determination.
What is 4-hydroxy-3-[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one used for?
This compound is primarily used in specialized pharmaceutical and chemical research applications due to its complex molecular structure. The chromen-2-one backbone and specific substitution pattern suggest potential applications in drug discovery, particularly in areas requiring selective biological activity. Given its hazardous classification, it is typically employed in controlled laboratory environments for synthetic chemistry research, analytical standards, or as an intermediate in the development of more complex pharmaceutical compounds.
How to handle 4-hydroxy-3-[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one safely?
This compound requires extreme caution during handling due to its Acute Tox. 1 and Repr. 1B classifications. Essential personal protective equipment includes full-face respirator, chemical-resistant gloves, protective clothing, and eye protection. Work must be conducted in a well-ventilated area or under fume hood extraction. Avoid skin contact, inhalation, and ingestion completely. Use only trained personnel familiar with highly toxic substances, and ensure emergency procedures are readily available before handling.
How to store 4-hydroxy-3-[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one correctly?
This compound must be stored in a secure, temperature-controlled environment away from heat, light, and moisture. Use tightly sealed, chemically compatible containers in a designated hazardous materials storage area with appropriate ventilation. Keep separate from incompatible materials, particularly oxidizing agents and bases. Access should be restricted to authorized personnel only. Storage areas must be clearly labeled with appropriate hazard warnings and equipped with spill containment measures and emergency response equipment.
What to do in case of contact with 4-hydroxy-3-[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one?
Immediate medical attention is required for any exposure due to the Acute Tox. 1 classification. For skin contact, remove contaminated clothing and flush with copious amounts of water for at least 15 minutes. If inhaled, move to fresh air immediately and seek medical help. For eye contact, rinse thoroughly with water for at least 15 minutes. Never induce vomiting if ingested. Contact poison control center immediately and provide the safety data sheet to medical personnel.
How to dispose of 4-hydroxy-3-[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one appropriately?
This compound requires disposal as hazardous waste through licensed waste management facilities due to its high toxicity and environmental hazard classifications. Never dispose of through normal waste streams or pour down drains. Small quantities should be collected in appropriate containers, clearly labeled, and handed over to certified hazardous waste disposal companies. Disposal must comply with local, national, and EU waste regulations including the Waste Framework Directive and specific national implementations.
How to transport 4-hydroxy-3-[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one?
This compound is classified under ADR Class 6.1 (Toxic substances) Packing Group I, indicating maximum danger level for toxic materials. Transportation requires UN-specification packaging, proper hazard labels, and transport documents. Only certified carriers experienced in handling highly toxic substances should be used. Packages must be clearly marked with UN identification numbers, proper shipping names, and display appropriate hazard placards. Emergency response information must accompany shipments.
Is 4-hydroxy-3-[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one subject to specific regulations?
This compound is subject to strict EU regulations under CLP Regulation due to its hazardous classifications including reproductive toxicity and acute toxicity. While not currently listed as SVHC under REACH, its Repr. 1B classification subjects it to authorization procedures if used above certain thresholds. Additional restrictions may apply under national regulations for highly toxic substances. Companies must ensure proper registration, classification, labeling, and risk assessment compliance before use.
Where to buy 4-hydroxy-3-[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one in Europe?
OYSI serves as a reliable European distributor for this specialized compound, providing access to high-quality chemical products with proper documentation and regulatory compliance. As a professional chemical supplier, OYSI ensures appropriate packaging, labeling, and safety data sheets accompany all shipments. Given the compound's hazardous nature, procurement requires proper justification, qualified personnel, and adherence to regulatory requirements. Contact OYSI directly for availability, specifications, and ordering procedures for this controlled substance.
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REACH Safety Data Sheet
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4-hydroxy-3-[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one 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.