N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide
C14H17Cl2NO2
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Identification
- CAS Number
- 126833-17-8
- EC Number
- 422-530-5
- UN Number
- 3077
- Index Number
- 616-111-00-8
- PubChem CID
- 213031
Physical-chemical properties
- Molecular Formula
- C14H17Cl2NO2
- Molar Mass
- 302.20 g/mol
- IUPAC Name
- N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide
Chemical Identifiers
- InChI
- InChI=1S/C14H17Cl2NO2/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15/h5-6,18H,2-4,7-8H2,1H3,(H,17,19)
- InChI Key
- VDLGAVXLJYLFDH-UHFFFAOYSA-N
Overview
N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide (CAS 126833-17-8) is a chlorinated aromatic carboxamide compound with specialized industrial applications and aquatic toxicity considerations. This specialized chemical compound features a unique molecular structure combining a dichlorohydroxyphenyl group with a methylcyclohexane carboxamide moiety, resulting in distinctive chemical properties that make it valuable for specific industrial processes. With the molecular formula C14H17Cl2NO2 and a molecular weight of 302.2 g/mol, this substance belongs to the family of halogenated aromatic compounds that exhibit particular stability and reactivity characteristics. From a safety perspective, the compound is classified under GHS pictogram GHS09 with Aquatic Chronic 2 hazard classification, indicating potential long-term adverse effects on aquatic environments. Transportation regulations classify it under ADR Class 9 (miscellaneous dangerous substances), requiring appropriate handling protocols during shipping and storage. The presence of chlorine substituents and the hydroxyphenyl group contributes to its environmental persistence, necessitating careful environmental management practices. The compound finds primary applications in pharmaceutical intermediate synthesis, where its specific substitution pattern provides valuable building blocks for active pharmaceutical ingredients. Additionally, it serves as a specialty chemical in agrochemical formulations and as an advanced intermediate in the production of functional materials. Its structural similarity to compounds like 4-[9-(4-amino-3-chlorophenyl)fluoren-9-yl]-2-chloroaniline makes it particularly useful in developing specialized organic compounds requiring precise molecular architecture. Industrial users also employ this carboxamide derivative in research and development applications, particularly in medicinal chemistry where the dichlorohydroxyphenyl framework offers opportunities for further chemical modifications and structure-activity relationship studies. OYSI maintains reliable supply chains for this specialized chemical compound, ensuring consistent availability for qualified industrial customers across European markets.
Safety & Classification
Aquatic Chronic 2
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
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 Number | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | Fenhexamid (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide?
N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide is a synthetic organic compound with the molecular formula C14H17Cl2NO2 and CAS number 126833-17-8. This chemical features a carboxamide functional group linked to a substituted phenyl ring containing two chlorine atoms and a hydroxyl group. With a molecular weight of 302.2 g/mol, it belongs to the class of substituted aromatic carboxamides and is classified as chronically hazardous to aquatic environments.
What are the physicochemical properties of N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide?
N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide is a solid compound at room temperature with a molecular weight of 302.2 g/mol. The presence of both hydrophilic (hydroxyl and carboxamide groups) and lipophilic (chlorinated aromatic and cyclohexyl groups) moieties suggests moderate solubility in polar solvents. The compound's stability and specific physical properties like melting point, color, and odor would require detailed analytical characterization for precise determination.
What is N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide used for?
N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide is typically used in research and development applications, particularly in pharmaceutical and agrochemical industries. Its structural features, including the chlorinated phenyl ring and carboxamide functionality, suggest potential applications as an intermediate in synthetic chemistry or as a building block for more complex molecules. The compound may also serve in specialized industrial processes requiring specific chemical reactivity patterns provided by its unique molecular structure.
How to handle N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide safely?
N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide should be handled with standard laboratory safety precautions including wearing appropriate personal protective equipment such as safety goggles, gloves, and lab coats. Work in well-ventilated areas or under fume hoods to minimize inhalation exposure. Given its aquatic chronic toxicity classification, prevent environmental release and ensure proper containment during handling. Follow good laboratory practices and maintain clean work surfaces to prevent cross-contamination.
How to store N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide correctly?
N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide should be stored in a cool, dry place away from direct sunlight and heat sources. Keep containers tightly sealed to prevent moisture absorption and contamination. Store in appropriate chemical storage areas with adequate ventilation and away from incompatible materials. Given its classification as ADR Class 9 Group III, ensure storage complies with regulations for miscellaneous dangerous goods and maintain proper labeling with GHS09 pictogram for environmental hazards.
What to do in case of contact with N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide?
In case of skin contact with N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide, immediately wash the affected area with plenty of water and soap. For eye contact, flush thoroughly with clean water for at least 15 minutes and seek medical attention. If inhaled, move to fresh air immediately. In case of ingestion, do not induce vomiting and seek immediate medical attention. Remove contaminated clothing and wash thoroughly before reuse. Always consult the safety data sheet for specific emergency procedures.
How to dispose of N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide properly?
N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide must be disposed of according to local and national hazardous waste regulations due to its environmental hazard classification. Never dispose of this substance down drains or into the environment given its Aquatic Chronic 2 classification. Collect waste in appropriate containers and arrange disposal through licensed hazardous waste management companies. Consider incineration at high temperatures or other approved treatment methods that prevent environmental contamination while complying with emission standards.
How to transport N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide?
N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide is classified as ADR Class 9, Packing Group III, categorizing it as a miscellaneous dangerous good with relatively lower hazard level. Transportation requires appropriate packaging, labeling with GHS09 environmental hazard pictogram, and compliance with ADR regulations for Class 9 substances. Ensure proper documentation including transport documents and emergency response information. Use approved packaging materials and follow quantity limitations specified for Packing Group III substances during road transport.
Is N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide subject to specific regulations?
N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide is subject to REACH registration requirements in Europe and must comply with CLP regulation for classification and labeling as Aquatic Chronic 2. The substance is not currently listed as a Substance of Very High Concern (SVHC). Users must ensure proper risk assessment and implementation of appropriate risk management measures. Compliance with national chemical safety regulations and environmental protection laws is mandatory, particularly regarding its aquatic toxicity classification and proper waste management procedures.
Where to buy N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide in Europe?
N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide is available through OYSI, a specialized European distributor of technical chemicals and research compounds. OYSI provides access to this substance for qualified industrial and research customers across Europe, ensuring compliance with REACH and other relevant regulations. For procurement, contact OYSI directly to discuss availability, specifications, and delivery options. Professional buyers should provide appropriate documentation regarding intended use and demonstrate adequate safety and handling capabilities for this environmentally classified substance.
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N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide 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.