4-hydroxy-3-[3-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one
C31H24O3
Consulting for 4-hydroxy-3-[3-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one
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Identification
- CAS Number
- 56073-07-5
- EC Number
- 259-978-4
- UN Number
- 3027
- Index Number
- 607-157-00-X
- PubChem CID
- 54676884
Physical-chemical properties
- Molecular Formula
- C31H24O3
- Molar Mass
- 444.50 g/mol
- IUPAC Name
- 4-hydroxy-3-[3-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one
Chemical Identifiers
- InChI
- InChI=1S/C31H24O3/c32-30-26-12-6-7-13-28(26)34-31(33)29(30)27-19-24(18-23-10-4-5-11-25(23)27)22-16-14-21(15-17-22)20-8-2-1-3-9-20/h1-17,24,27,32H,18-19H2
- InChI Key
- FVQITOLOYMWVFU-UHFFFAOYSA-N
Overview
4-hydroxy-3-[3-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one (CAS 56073-07-5) is a complex organic compound with anticoagulant properties and significant toxicological hazards. This sophisticated organic molecule represents a highly specialized chemical intermediate within the pharmaceutical and research sectors. With its molecular formula C31H24O3 and molecular weight of 444.5 g/mol, this chromen-2-one derivative exhibits a complex polycyclic structure incorporating both chromene and tetrahydronaphthalene moieties. The compound's structural complexity places it among advanced synthetic organic chemicals requiring specialized handling protocols. The substance presents significant safety considerations, classified under multiple hazard categories including reproductive toxicity (Repr. 1B), acute toxicity across different exposure routes (Acute Tox. 1), and specific target organ toxicity following repeated exposure (STOT RE 1). The compound also demonstrates substantial environmental hazards with both acute and chronic aquatic toxicity classifications. These characteristics necessitate stringent safety protocols during handling, storage, and transportation, reflected in its ADR Class 6.1 designation for toxic substances. Industrial applications primarily focus on pharmaceutical research and development, particularly in anticoagulant drug synthesis and related therapeutic compound development. The substance also finds application in specialized organic synthesis projects requiring complex molecular scaffolds. Unlike simpler aromatic compounds such as N-methylaniline, this chromen-2-one derivative offers unique structural features valuable in advanced pharmaceutical chemistry applications. Given its specialized nature and regulatory requirements, this compound serves research institutions and pharmaceutical companies requiring high-purity chemical intermediates. OYSI maintains availability of this technical-grade compound through its European distribution network, supporting advanced research and development projects across the pharmaceutical and specialty chemical sectors.
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 | Difenacoum (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is 4-hydroxy-3-[3-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one?
4-hydroxy-3-[3-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one is a complex organic compound with the molecular formula C31H24O3 and CAS number 56073-07-5. This coumarin derivative has a molecular weight of 444.5 g/mol and features a sophisticated structure combining chromenone, tetrahydronaphthalene, and biphenyl moieties. It is classified as an extremely hazardous substance with multiple toxicity classifications including reproductive toxicity, acute toxicity, and environmental hazards.
What are the physicochemical properties of 4-hydroxy-3-[3-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one?
4-hydroxy-3-[3-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one is a solid organic compound at room temperature with a molecular weight of 444.5 g/mol. The compound contains multiple aromatic rings and a hydroxyl group, suggesting limited water solubility but good solubility in organic solvents. Its complex structure with extended conjugation likely results in characteristic UV absorption properties. Specific physical properties such as melting point, color, and exact solubility values require experimental determination or supplier specifications.
What is 4-hydroxy-3-[3-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one used for?
4-hydroxy-3-[3-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one is primarily used in specialized research and pharmaceutical applications. Its coumarin-based structure suggests potential applications in anticoagulant research, fluorescent probe development, or as an intermediate in pharmaceutical synthesis. Given its high toxicity classification, its use is restricted to professional laboratory settings with appropriate safety measures. The compound may also serve as a reference standard or analytical reagent in specialized chemical analysis applications.
How to handle 4-hydroxy-3-[3-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one safely?
4-hydroxy-3-[3-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one requires maximum safety precautions due to its Acute Tox. 1 classification. Personnel must wear full chemical protective equipment including chemical-resistant gloves, safety goggles, and respiratory protection. Work must be conducted in a well-ventilated area or fume hood. Avoid all routes of exposure including inhalation, skin contact, and ingestion. The substance poses reproductive hazards (Repr. 1B) and requires specialized training before handling.
How to store 4-hydroxy-3-[3-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one properly?
4-hydroxy-3-[3-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one must be stored in a secure, temperature-controlled environment away from heat, light, and moisture. Due to its extreme toxicity, storage requires a locked cabinet with restricted access and appropriate hazard labeling. The container should be tightly sealed and made of compatible materials. Storage areas must be well-ventilated and equipped with spill containment measures. Keep away from incompatible substances and ensure emergency response equipment is readily available.
What to do in case of contact with 4-hydroxy-3-[3-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one?
Immediate emergency response is critical for any contact with 4-hydroxy-3-[3-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one due to its 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. In case of eye contact, rinse thoroughly with water. For ingestion, do not induce vomiting. Seek immediate medical attention in all cases and provide the safety data sheet to medical personnel.
How to dispose of 4-hydroxy-3-[3-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one appropriately?
4-hydroxy-3-[3-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one requires disposal as hazardous waste through licensed waste management facilities due to its extreme toxicity and environmental hazard classification. The substance cannot be disposed of in regular waste streams or sewage systems due to its Aquatic Acute 1 and Aquatic Chronic 1 classifications. Disposal must comply with local, national, and European waste regulations including the Waste Framework Directive. Contact certified hazardous waste contractors for proper collection, treatment, and disposal procedures.
How to transport 4-hydroxy-3-[3-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one?
4-hydroxy-3-[3-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one is classified under ADR Class 6.1 (Toxic substances), Packing Group I, indicating maximum transport restrictions due to its extreme toxicity. Transport requires specialized hazardous materials carriers with appropriate permits and training. Packages must meet stringent packaging requirements with proper hazard labels and documentation. Emergency response information must accompany shipments. Transport is subject to quantity limitations and routing restrictions according to ADR regulations.
Is 4-hydroxy-3-[3-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one subject to special regulations?
4-hydroxy-3-[3-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one is subject to extensive regulatory controls under European legislation. It falls under REACH registration requirements and CLP classification as a Category 1B reproductive toxin and Category 1 acute toxin. While not currently identified as an SVHC, its extreme hazard profile subjects it to strict handling, storage, and disposal regulations. Users must comply with occupational exposure limits, environmental protection measures, and may require special permits or licenses depending on intended use and quantities.
Where to buy 4-hydroxy-3-[3-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one in Europe?
4-hydroxy-3-[3-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one is available through OYSI, a specialized European distributor of technical chemicals. As an extremely hazardous substance, purchase requires verification of proper facilities, safety protocols, and legitimate research or industrial applications. OYSI provides comprehensive documentation including safety data sheets, certificates of analysis, and regulatory compliance information. Due to the substance's high toxicity classification, sales are restricted to qualified professionals with appropriate handling capabilities and regulatory compliance.
Services for 4-hydroxy-3-[3-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one
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ADR Consulting for 4-hydroxy-3-[3-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one
4-hydroxy-3-[3-(4-phenylphenyl)-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.