(5-chloro-2-methoxy-4-methyl-3-pyridinyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone

C18H20ClNO5

CAS688046-61-9
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Warning

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Identification

CAS Number
688046-61-9
UN Number
3077
Index Number
606-152-00-X
PubChem CID
23082663

Physical-chemical properties

Molecular Formula
C18H20ClNO5
Molar Mass
365.80 g/mol
IUPAC Name
(5-chloro-2-methoxy-4-methyl-3-pyridinyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone

Chemical Identifiers

InChI
InChI=1S/C18H20ClNO5/c1-9-7-12(22-3)16(23-4)17(24-5)13(9)15(21)14-10(2)11(19)8-20-18(14)25-6/h7-8H,1-6H3
InChI Key
NMVCBWZLCXANER-UHFFFAOYSA-N

Overview

(5-chloro-2-methoxy-4-methyl-3-pyridinyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone (CAS 688046-61-9) is an aromatic ketone compound with chlorinated pyridine and methoxylated phenyl structural features. This complex organic molecule represents a sophisticated example of heterocyclic chemistry, combining a substituted pyridine ring system with a highly methoxylated benzene derivative through a carbonyl bridge. The compound's molecular formula C18H20ClNO5 reflects its substantial molecular weight of 365.8 g/mol, indicating a relatively large and structurally diverse chemical entity. The presence of multiple methoxy groups (-OCH3) along with a chlorine substituent on the pyridine ring contributes to its unique physicochemical properties and potential reactivity profile. From a safety perspective, this substance requires careful handling protocols due to its classification as a Category 2 carcinogen and its chronic aquatic toxicity. The GHS08 health hazard pictogram emphasizes the potential long-term health risks, while the GHS09 environmental pictogram highlights concerns regarding aquatic ecosystems. As a Class 9 miscellaneous dangerous substance under ADR transport regulations, proper shipping and storage procedures must be implemented to ensure compliance with international safety standards. Industrial applications of this compound typically involve specialized chemical synthesis processes, particularly in pharmaceutical intermediate production and advanced organic synthesis. The structural complexity makes it valuable for research applications in medicinal chemistry, where compounds like propan-2-yl N-(3-chlorophenyl)carbamate also find use in specialized synthetic pathways. Additionally, its unique substitution pattern may render it useful in materials science applications requiring specific electronic or steric properties. OYSI maintains reliable supply chains for this specialized chemical compound, ensuring consistent availability for qualified industrial customers across European markets.

Safety & Classification

Warning
Classification:

Carc. 2; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H351

Suspected of causing cancer.

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

Transport (ADR)

UN Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NamePyriofenon
Marine PollutantNo

Frequently Asked Questions

What is (5-chloro-2-methoxy-4-methyl-3-pyridinyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone?

(5-chloro-2-methoxy-4-methyl-3-pyridinyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone is an organic chemical compound with the molecular formula C18H20ClNO5 and CAS number 688046-61-9. This methanone derivative has a molecular weight of 365.8 g/mol and features both pyridine and phenyl ring structures with multiple methoxy substituents and a chlorine atom. It is classified as a suspected carcinogen (Category 2) and poses chronic aquatic toxicity risks.

What are the physicochemical properties of (5-chloro-2-methoxy-4-methyl-3-pyridinyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone?

(5-chloro-2-methoxy-4-methyl-3-pyridinyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone is a solid organic compound at room temperature with a molecular weight of 365.8 g/mol. Its complex structure containing multiple methoxy groups and aromatic rings suggests limited water solubility but good solubility in organic solvents. The presence of electron-withdrawing chlorine and electron-donating methoxy groups influences its chemical reactivity and stability properties.

What is (5-chloro-2-methoxy-4-methyl-3-pyridinyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone used for?

(5-chloro-2-methoxy-4-methyl-3-pyridinyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone is primarily used as a chemical intermediate in pharmaceutical and agrochemical synthesis. Its complex aromatic structure with multiple functional groups makes it valuable for developing biologically active compounds. The compound may serve in research applications for medicinal chemistry and as a building block for more complex molecular structures in industrial chemical processes.

How to handle (5-chloro-2-methoxy-4-methyl-3-pyridinyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone safely?

(5-chloro-2-methoxy-4-methyl-3-pyridinyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone must be handled with appropriate personal protective equipment due to its suspected carcinogenic properties. Wear nitrile gloves, safety goggles, and lab coats when handling. Work in well-ventilated areas or under fume hoods to avoid inhalation. Avoid skin contact and ingestion. Use proper laboratory techniques and ensure adequate ventilation to minimize exposure risks.

How to store (5-chloro-2-methoxy-4-methyl-3-pyridinyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone correctly?

(5-chloro-2-methoxy-4-methyl-3-pyridinyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from direct sunlight. Keep away from incompatible materials such as strong oxidizing agents and bases. Store at room temperature in original packaging with proper labeling including hazard warnings. Ensure storage areas have appropriate containment measures and access restrictions due to the compound's carcinogenic classification.

What to do in case of contact with (5-chloro-2-methoxy-4-methyl-3-pyridinyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone?

Skin contact with (5-chloro-2-methoxy-4-methyl-3-pyridinyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone requires immediate washing with soap and water for at least 15 minutes. For eye contact, flush immediately with water for 15 minutes and seek medical attention. If inhaled, move to fresh air immediately. If ingested, do not induce vomiting and seek immediate medical attention. Remove contaminated clothing and seek medical evaluation due to potential carcinogenic effects.

How to dispose of (5-chloro-2-methoxy-4-methyl-3-pyridinyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone appropriately?

(5-chloro-2-methoxy-4-methyl-3-pyridinyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone must be disposed of as hazardous waste through licensed waste management companies due to its suspected carcinogenic properties and environmental toxicity. Do not discharge to sewers or environment. Incineration at high temperatures in approved facilities is typically required. Follow local, national, and EU waste regulations including proper waste classification and documentation for tracking purposes.

How to transport (5-chloro-2-methoxy-4-methyl-3-pyridinyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone?

(5-chloro-2-methoxy-4-methyl-3-pyridinyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III for transport purposes. This indicates moderate danger level requiring appropriate packaging, labeling, and documentation. Use UN-approved packaging with proper hazard labels and transport documents. Carriers must comply with ADR regulations for Class 9 substances, including driver training and vehicle equipment requirements for safe transportation across Europe.

Is (5-chloro-2-methoxy-4-methyl-3-pyridinyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone subject to special regulations?

(5-chloro-2-methoxy-4-methyl-3-pyridinyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone is subject to REACH regulation for registration, evaluation, and authorization in the EU. It requires CLP classification as Carcinogenic Category 2 and Aquatic Chronic Category 1 with GHS08 and GHS09 pictograms and 'Warning' signal word. While not currently listed as SVHC, its carcinogenic classification may trigger additional regulatory scrutiny and use restrictions in various applications.

Where to buy (5-chloro-2-methoxy-4-methyl-3-pyridinyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone in Europe?

(5-chloro-2-methoxy-4-methyl-3-pyridinyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides compliant chemical products with proper documentation, safety data sheets, and regulatory compliance for industrial and research applications. As a professional chemical distributor, OYSI ensures proper handling, packaging, and delivery of hazardous substances according to European regulations and safety standards.

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(5-chloro-2-methoxy-4-methyl-3-pyridinyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone 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.