N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
C22H25NO6
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Identification
- CAS Number
- 64-86-8
- EC Number
- 200-598-5
- UN Number
- 1544
- Index Number
- 614-005-00-6
- PubChem CID
- 6167
Physical-chemical properties
- Molecular Formula
- C22H25NO6
- Molar Mass
- 399.40 g/mol
- IUPAC Name
- N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
Chemical Identifiers
- InChI
- InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1
- InChI Key
- IAKHMKGGTNLKSZ-INIZCTEOSA-N
Overview
N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide (CAS 64-86-8) is a complex organic compound featuring a polycyclic aromatic structure with multiple methoxy substituents and acetamide functionality. This sophisticated chemical substance, with molecular formula C22H25NO6 and molecular weight 399.4 g/mol, belongs to the benzo[a]heptalene family of compounds. The molecule features a distinctive seven-membered ring system fused to a benzene ring, decorated with four methoxy groups and an acetamide side chain at the stereogenic center. This structural complexity provides unique chemical properties that make it valuable for specialized industrial applications. The compound presents significant safety considerations, classified under hazard categories Muta. 1B and Acute Tox. 2, requiring careful handling protocols. The GHS08 and GHS06 pictograms indicate both health hazards and acute toxicity risks, while the ADR classification 6.1 designates it as a toxic substance for transportation purposes. These safety characteristics distinguish it from simpler aromatic compounds like chloromethylbenzene, which typically present different hazard profiles. Key applications include use as an advanced pharmaceutical intermediate, where its complex structure serves as a building block for bioactive compounds. The chemical also finds application in specialized organic synthesis projects and as a research chemical for academic and industrial laboratories. Its unique stereochemistry and functional group arrangement make it particularly valuable for developing compounds requiring specific molecular architectures. OYSI maintains reliable supply chains for this specialized compound, ensuring consistent availability for European customers requiring high-quality chemical intermediates for their technical applications.
Safety & Classification
Muta. 1B; Acute Tox. 2 *
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
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 | 1544 |
| ADR Class | 6.1 |
| Packing Group | I |
| Tunnel Code | C/E |
| Proper Shipping Name | Colchicin |
| Marine Pollutant | No |
Frequently Asked Questions
What is N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide?
N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide is a complex organic compound with the molecular formula C22H25NO6 and CAS number 64-86-8. This substance has a molecular weight of 399.4 g/mol and belongs to the benzoheptalene class of compounds. It is classified as highly hazardous due to its mutagenic properties (Muta. 1B) and acute toxicity (Acute Tox. 2), requiring careful handling and specialized safety measures in professional applications.
What are the physicochemical properties of N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide?
N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide is a solid organic compound with a molecular weight of 399.4 g/mol. The molecule contains multiple methoxy groups and an acetamide functional group, which influence its solubility characteristics. As a complex aromatic compound with polar functional groups, it typically exhibits limited water solubility but may dissolve in organic solvents. The exact physical appearance, odor, and detailed solubility data require specific analytical characterization.
What is N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide used for?
N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide is primarily used in specialized research and pharmaceutical applications due to its complex molecular structure. Its specific applications are limited to professional and industrial uses where its unique chemical properties are required. Given its high toxicity classification and mutagenic properties, this compound is restricted to controlled environments with appropriate safety measures and is not suitable for general commercial applications.
How to handle N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide safely?
N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide requires extreme safety precautions due to its Acute Tox. 2 and Muta. 1B classifications. Essential PPE includes chemical-resistant gloves, full face protection, and respiratory protection. Work must be conducted in well-ventilated areas or fume hoods. Avoid skin contact, inhalation, and ingestion. Use only in controlled professional environments with trained personnel. Follow strict contamination prevention protocols and ensure emergency procedures are readily available.
How to store N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide correctly?
N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide must be stored in a secure, controlled environment due to its high toxicity classification. Keep in tightly sealed, labeled containers away from heat, light, and moisture. Store in designated areas with restricted access, separate from incompatible materials. Maintain cool, dry conditions and ensure proper ventilation. Regular inventory checks and leak detection protocols are essential. Storage areas must comply with local regulations for highly toxic substances.
What to do in case of contact with N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide?
Immediate medical attention is required for any contact with N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide due to its Acute Tox. 2 classification. For skin contact: remove contaminated clothing and rinse thoroughly with water. For eye contact: flush immediately with clean water for at least 15 minutes. If inhaled: move to fresh air immediately. If ingested: do not induce vomiting and seek emergency medical care. Always contact poison control centers and provide the safety data sheet to medical personnel.
How to dispose of N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide appropriately?
N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide requires specialized hazardous waste disposal due to its mutagenic and highly toxic properties. Disposal must comply with local and European waste regulations for dangerous substances. Use only authorized waste management companies experienced in handling Class 6.1 materials. Contaminated materials, containers, and PPE must also be treated as hazardous waste. Never dispose of in regular waste streams, sewers, or soil. Maintain detailed disposal records for regulatory compliance.
How to transport N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide?
N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide is classified as ADR Class 6.1, Packing Group I, indicating it is a highly toxic substance requiring the most stringent transport conditions. Transport must use UN-approved packaging and be handled by certified dangerous goods carriers. Proper shipping documentation, emergency response information, and hazard labels are mandatory. Vehicle placarding and driver certification for dangerous goods transport are required. Only specialized logistics companies experienced in Class 6.1 materials should handle transportation.
Is N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide subject to special regulations?
N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide is subject to strict European regulations under REACH and CLP due to its Muta. 1B and Acute Tox. 2 classifications. While not currently listed as an SVHC, its mutagenic properties may trigger authorization requirements. Users must comply with occupational exposure limits, provide appropriate worker training, and maintain safety data sheets. Import, use, and handling require compliance with national chemical safety regulations and may need special permits or notifications to regulatory authorities.
Where to buy N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide in Europe?
N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide is available through OYSI, a specialized European distributor of chemical products with expertise in handling highly regulated substances. OYSI provides comprehensive support including regulatory compliance, proper documentation, and safe delivery throughout Europe. Given the substance's high toxicity classification and transport restrictions, procurement requires verification of legitimate use, proper facilities, and qualified personnel. Contact OYSI directly for availability, regulatory requirements, and specialized handling procedures for this controlled substance.
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N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide 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.