3-[3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-hydroxychromen-2-one

C31H23BrO3

CAS56073-10-0
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

Consulting for 3-[3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-hydroxychromen-2-one

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Identification

CAS Number
56073-10-0
EC Number
259-980-5
UN Number
3027
Index Number
607-172-00-1
PubChem CID
54680676

Physical-chemical properties

Molecular Formula
C31H23BrO3
Molar Mass
523.40 g/mol
IUPAC Name
3-[3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-hydroxychromen-2-one

Chemical Identifiers

InChI
InChI=1S/C31H23BrO3/c32-24-15-13-20(14-16-24)19-9-11-21(12-10-19)23-17-22-5-1-2-6-25(22)27(18-23)29-30(33)26-7-3-4-8-28(26)35-31(29)34/h1-16,23,27,33H,17-18H2
InChI Key
VEUZZDOCACZPRY-UHFFFAOYSA-N

Overview

3-[3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-hydroxychromen-2-one (CAS 56073-10-0) is a complex brominated organic compound with anticoagulant properties and significant biological activity. This sophisticated organic molecule belongs to the coumarin derivative family and features a distinctive multi-ring structure incorporating brominated biphenyl, tetrahydronaphthalene, and hydroxycoumarin moieties. With a molecular formula of C31H23BrO3 and molecular weight of 523.4 g/mol, this compound exhibits potent anticoagulant activity similar to warfarin-type substances. The presence of the brominated phenyl group enhances its biological potency while contributing to its complex pharmacological profile. The compound presents significant safety considerations due to its classification as Repr. 1A, Acute Tox. 1, and STOT RE 1 under CLP regulation. The GHS08, GHS06, and GHS09 pictograms indicate serious health hazards including reproductive toxicity, acute toxicity, and environmental dangers. Its ADR classification as Class 6.1 reflects its toxic nature during transport and handling. Unlike simpler aromatic compounds such as N-methylaniline, this complex coumarin derivative requires specialized safety protocols and controlled handling procedures due to its potent biological activity. Primary industrial applications include pharmaceutical research for anticoagulant drug development, biochemical studies investigating blood coagulation mechanisms, and specialized research applications in cardiovascular medicine. The compound serves as a valuable research tool in developing next-generation anticoagulant therapies and understanding hemostatic processes. Its unique structural features make it particularly useful for structure-activity relationship studies in medicinal chemistry. OYSI maintains this specialized compound in our technical chemical portfolio, supporting research institutions and pharmaceutical companies with reliable supply and comprehensive documentation.

Safety & Classification

Danger
Classification:

Repr. 1A; Acute Tox. 1; Acute Tox. 1; Acute Tox. 1; STOT RE 1; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H330

Fatal if inhaled.

H310

Fatal in contact with skin.

H300

Fatal if swallowed.

H372

Causes damage to organs through prolonged or repeated exposure.

H400

Very toxic to aquatic life.

H410

Very 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

Inhalation

Fatal

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

Fatal

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

Fatal

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 GroupI
Tunnel CodeC/E
Proper Shipping NameBrodifacoum (ISO)
Marine PollutantNo

Frequently Asked Questions

What is 3-[3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-hydroxychromen-2-one?

3-[3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-hydroxychromen-2-one is a complex organic compound with CAS number 56073-10-0 and molecular formula C31H23BrO3. This brominated aromatic compound has a molecular weight of 523.4 g/mol and contains multiple ring structures including tetrahydronaphthalene and chromen-2-one moieties. It is classified as an extremely hazardous substance requiring specialized handling due to its high toxicity profile.

What are the physicochemical properties of 3-[3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-hydroxychromen-2-one?

This compound is a solid organic material with a complex molecular structure containing bromine, oxygen, and multiple aromatic rings. With its molecular weight of 523.4 g/mol and hydrophobic aromatic structure, it likely exhibits low water solubility and high lipophilicity. The presence of the hydroxyl group on the chromen-2-one ring may provide some polar character, while the brominated biphenyl moiety contributes to its stability and persistence.

What is 3-[3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-hydroxychromen-2-one used for?

This compound is primarily used in specialized research applications and pharmaceutical intermediate synthesis due to its complex molecular structure. Its specific aromatic configuration makes it valuable for studying structure-activity relationships in medicinal chemistry. However, due to its extremely high toxicity classification (Acute Tox. 1) and reproductive toxicity (Repr. 1A), its use is strictly limited to controlled laboratory environments with appropriate safety measures.

How to safely handle 3-[3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-hydroxychromen-2-one?

This substance requires maximum protective measures due to its Acute Tox. 1 classification across multiple exposure routes. Full protective equipment including supplied-air respirators, chemical-resistant gloves, and full body protection is mandatory. Work must be conducted in a fume hood or controlled atmosphere with emergency shower and eyewash stations immediately accessible. Only trained personnel should handle this material, and exposure monitoring is essential.

How should 3-[3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-hydroxychromen-2-one be stored?

This compound must be stored in a locked, temperature-controlled facility with restricted access due to its extreme toxicity. Storage should be in original containers in a well-ventilated, dry area away from heat sources and incompatible materials. Secondary containment is recommended to prevent environmental release. Given its STOT RE 1 and aquatic toxicity classifications, storage areas must have appropriate spill containment and emergency response equipment readily available.

What to do in case of contact with 3-[3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-hydroxychromen-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 provide oxygen if breathing is difficult. For eye contact, flush with water for at least 15 minutes. Seek emergency medical care immediately and provide the safety data sheet to medical personnel.

How to properly dispose of 3-[3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-hydroxychromen-2-one?

This substance requires disposal as hazardous waste through authorized waste management companies due to its extreme toxicity and environmental hazard classifications. High-temperature incineration at licensed facilities is typically required. The Aquatic Acute 1 and Aquatic Chronic 1 classifications prohibit discharge to water systems. All disposal must comply with local, national, and EU waste regulations, and waste manifests must be maintained for regulatory compliance.

How to transport 3-[3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-hydroxychromen-2-one?

This substance is classified under ADR Class 6.1 (Toxic Substances), Packing Group I, indicating maximum transport restrictions. Specialized hazardous materials carriers and UN-approved packaging are mandatory. Transport documents, emergency response information, and proper labeling with GHS06, GHS08, and GHS09 pictogrammes are required. Drivers must have appropriate hazmat certifications, and vehicles must carry spill response equipment and emergency contact information.

Is 3-[3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-hydroxychromen-2-one subject to specific regulations?

This compound is subject to extensive regulatory oversight under EU REACH, CLP, and national chemical legislation due to its extreme hazard profile. The Repr. 1A classification may trigger authorization requirements under REACH Annex XIV. Transport is regulated under ADR/RID, and occupational exposure limits apply under workplace safety directives. While not currently listed as SVHC, its hazard profile suggests potential future regulatory restrictions on manufacturing, import, and use.

Where to buy 3-[3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-hydroxychromen-2-one in Europe?

OYSI serves as a specialized European distributor for this highly regulated compound, providing compliant supply chains for authorized research institutions and pharmaceutical companies. Due to the extreme hazard classification, procurement requires verification of proper handling facilities, trained personnel, and appropriate waste disposal arrangements. OYSI ensures full regulatory compliance including proper documentation, safety data sheets, and transport arrangements meeting ADR Class 6.1 requirements.

Services for 3-[3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-hydroxychromen-2-one

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3-[3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-hydroxychromen-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.