Methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate
C14H9Cl2NO5
methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate
Consulting for Methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate
Our experts support you with application, dosage, and compliance.
Identification
- CAS Number
- 42576-02-3
- EC Number
- 255-894-7
- UN Number
- 3077
- Index Number
- 607-769-00-7
- PubChem CID
- 39230
Physical-chemical properties
- Molecular Formula
- C14H9Cl2NO5
- Molar Mass
- 342.10 g/mol
- IUPAC Name
- methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate
Chemical Identifiers
- InChI
- InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3
- InChI Key
- SUSRORUBZHMPCO-UHFFFAOYSA-N
Overview
Methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate (CAS 42576-02-3) is an aromatic ester compound featuring dichlorophenoxy and nitrobenzoate functional groups with significant industrial applications. This specialized chemical compound represents a complex organic molecule combining multiple functional moieties that contribute to its unique properties and applications. With the molecular formula C14H9Cl2NO5 and a molecular weight of 342.1 g/mol, this substance exhibits characteristic properties of both phenoxy compounds and nitrobenzoate esters. The presence of two chlorine atoms on the phenoxy ring, combined with the nitro group on the benzoate portion, creates a molecule with distinct chemical reactivity patterns. From a safety perspective, methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate requires careful handling due to its classification as Acute Toxicity Category 4 and its significant environmental impact potential, being classified as Aquatic Acute 1 and Aquatic Chronic 1. The compound displays GHS pictograms GHS07 and GHS09, indicating both health hazards and environmental dangers. Its ADR Class 9 classification designates it as a miscellaneous dangerous substance requiring appropriate transport precautions. In industrial applications, this compound serves primarily as an intermediate in organic synthesis, particularly in pharmaceutical and agrochemical manufacturing processes. Its structural similarity to other complex esters like methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate makes it valuable in specialized chemical transformations. The compound also finds use in research and development applications where its specific reactivity profile is advantageous for creating more complex molecular structures. OYSI maintains reliable supply chains for methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate, ensuring consistent availability for European industrial customers requiring this specialized chemical intermediate.
Safety & Classification
Acute Tox. 4; 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
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 | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | Bifenox (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate?
Methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate is an organic chemical compound with the molecular formula C14H9Cl2NO5 and CAS number 42576-02-3. This substance belongs to the class of substituted benzoate esters, featuring both dichlorophenoxy and nitro functional groups. With a molecular weight of 342.1 g/mol, it is classified as moderately toxic and poses environmental hazards to aquatic ecosystems. The compound requires careful handling due to its toxicological properties and environmental impact potential.
What are the physicochemical properties of methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate?
Methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate is a solid organic compound at room temperature with a molecular weight of 342.1 g/mol. The presence of chlorine atoms, nitro group, and ester functionality influences its solubility characteristics, typically showing limited water solubility but good solubility in organic solvents. The compound's structure suggests it would appear as a crystalline solid, likely pale yellow to off-white in color, characteristic of nitro-substituted aromatic compounds.
What is methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate used for?
Methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate is primarily used as a chemical intermediate in organic synthesis and pharmaceutical research. Its structural features make it valuable for developing agrochemicals, particularly herbicides and pesticides, due to the dichlorophenoxy moiety. The compound also serves as a building block in fine chemical manufacturing and may be utilized in academic research for studying structure-activity relationships in bioactive molecules.
How to handle methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate safely?
Methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate requires careful handling with appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work should be conducted in well-ventilated areas or under fume hoods to prevent inhalation exposure. Given its Acute Tox. 4 classification, avoid skin contact, ingestion, and inhalation. Ensure emergency eyewash and shower facilities are readily accessible when working with this substance.
How to store methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate correctly?
Methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate should be stored in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Keep containers tightly sealed to prevent contamination and moisture absorption. Store separately from incompatible materials such as strong oxidizing agents, bases, and reducing agents. Ensure storage areas are equipped with appropriate spill containment measures and restrict access to authorized personnel only.
What to do in case of contact with methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate?
Immediate action is required upon contact with methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate. For skin contact, remove contaminated clothing and wash thoroughly with soap and water for at least 15 minutes. In case of eye contact, flush immediately with clean water for 15-20 minutes. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical attention. Always consult a physician if symptoms develop or persist.
How to dispose of methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate appropriately?
Methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate must be disposed of through licensed hazardous waste disposal facilities due to its toxicological and environmental properties. The substance cannot be disposed of in regular waste streams or sewerage systems due to its aquatic toxicity classification. Contact authorized waste management companies specializing in chemical waste treatment. Ensure all disposal activities comply with local, national, and European waste management regulations including proper documentation and tracking.
How to transport methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate?
Methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate is classified under ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transportation purposes. This classification requires specific packaging, labeling, and documentation according to dangerous goods regulations. Shipments must be properly marked with the appropriate UN number and hazard labels. Ensure compliance with ADR/RID regulations for road and rail transport, and IMDG/IATA codes for sea and air transport respectively.
Is methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate subject to particular regulations?
Methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate is subject to European REACH regulation requiring registration for commercial use and CLP regulation for classification and labeling. While not currently listed as a SVHC (Substance of Very High Concern), its environmental toxicity classification requires compliance with aquatic environmental protection measures. Users must maintain safety data sheets, implement risk management measures, and ensure proper classification under GHS pictograms GHS07 and GHS09 with warning signal word.
Where to buy methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate in Europe?
Methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate is available through OYSI, a specialized European distributor of technical chemical products. OYSI provides this compound to qualified industrial and research customers across Europe, ensuring full regulatory compliance and proper documentation. As a professional chemical supplier, OYSI maintains appropriate storage conditions and provides comprehensive safety data sheets and technical support for this regulated substance to authorized users only.
Services for Methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate
Order Methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate
Fast delivery across Europe
SDS Service
Request Safety Data Sheet for Methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate
Technical Consulting
Application advice for Methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate
REACH Safety Data Sheet
REACH Compliance Service
Digital Product Passport
EU-compliant product documentation
ADR Consulting for Methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate
Methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate 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.