Methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate

C14H9Cl2NO5

methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate

CAS42576-02-3
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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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 with dichlorophenoxy and nitrobenzoate functional groups. This specialized chemical intermediate belongs to the family of substituted benzoate esters, characterized by its complex aromatic structure containing both chlorinated phenoxy and nitro substituents. With the molecular formula C14H9Cl2NO5 and a molecular weight of 342.1 g/mol, this compound exhibits unique reactivity patterns due to the presence of electron-withdrawing groups including the nitro functionality and dichlorophenoxy moiety. The compound presents moderate toxicity concerns, classified under Acute Tox. 4 with GHS07 pictogram indicating potential health hazards upon exposure. Additionally, its environmental profile requires careful handling, as evidenced by the Aquatic Acute 1 and Aquatic Chronic 1 classifications accompanied by the GHS09 environmental hazard pictogram. These safety characteristics necessitate appropriate storage conditions and handling protocols in industrial applications. Methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate finds primary applications in pharmaceutical intermediate synthesis, where its reactive functional groups enable further chemical transformations. The compound also serves in specialty chemical manufacturing and research applications requiring precise molecular modifications. Its structural complexity makes it valuable in developing agrochemical intermediates, though its environmental classification requires careful waste management protocols. Unlike simpler esters such as methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate, this compound's dichlorophenoxy substitution pattern provides unique synthetic opportunities. Transportation falls under ADR Class 9 miscellaneous dangerous goods, reflecting its specialized handling requirements. OYSI maintains reliable supply chains for this technical intermediate, supporting European chemical manufacturers with consistent availability and comprehensive documentation.

Safety & Classification

Warning
Classification:

Acute Tox. 4; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful if swallowed.

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

Ingestion

Harmful

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 Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NameBifenox (ISO)
Marine PollutantNo

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 has a molecular weight of 342.1 g/mol and belongs to the class of nitrobenzoate esters. It contains both dichlorophenoxy and nitrobenzoate functional groups, making it a complex aromatic compound with specific chemical properties and applications in various industrial processes.

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 substance contains aromatic rings with chlorine and nitro substituents, which influence its physical properties such as melting point and solubility. As a methyl ester derivative, it typically exhibits limited water solubility but good solubility in organic solvents. The presence of electron-withdrawing groups affects its chemical reactivity and stability.

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 manufacturing. The compound serves as a building block for the production of more complex molecules, particularly in the development of agrochemicals and pharmaceutical compounds. Its unique structure with both phenoxy and nitrobenzoate moieties makes it valuable for creating derivatives with specific biological or chemical activities in research and industrial applications.

How to handle methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate safely?

Safe handling of methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate requires appropriate personal protective equipment including safety goggles, chemical-resistant gloves, and protective clothing. Work in well-ventilated areas or under fume hoods to prevent inhalation exposure. The substance is classified as Acute Tox. 4 with Warning signal word, requiring careful handling to avoid skin contact and ingestion. Always follow GHS07 and GHS09 pictogram precautions and maintain good laboratory hygiene practices.

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 closed and properly labeled in accordance with GHS requirements. Due to its aquatic toxicity classification (Aquatic Acute 1; Aquatic Chronic 1), ensure storage areas have appropriate containment measures to prevent environmental release. Store separately from incompatible materials and maintain inventory records for regulatory compliance.

What to do in case of contact with methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate?

In case of skin contact with methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. If eye contact occurs, rinse immediately with plenty of clean water for 15 minutes and seek medical attention. If inhaled, move the person to fresh air and seek medical advice if symptoms persist. In case of ingestion, do not induce vomiting and seek immediate medical attention.

How to dispose of methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate appropriately?

Disposal of methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate must be conducted through licensed hazardous waste disposal facilities in accordance with local, national, and EU regulations. Due to its aquatic toxicity classification, prevent release to water systems or soil. The substance cannot be disposed of through normal municipal waste streams and requires specialized treatment. Contact certified waste management companies and provide safety data sheets to ensure proper handling and disposal methods are employed.

How to transport methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate?

Methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate is classified as ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transportation purposes. The substance must be packaged in UN-approved containers with appropriate labeling and documentation. Transport vehicles must carry proper emergency response information and comply with ADR regulations for Class 9 materials. Professional logistics companies experienced in chemical transport should handle shipments to ensure regulatory compliance and safety.

Is methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate subject to specific regulations?

Methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate is subject to various European chemical regulations including REACH and CLP classifications. The substance is not currently listed as a Substance of Very High Concern (SVHC). It must be handled according to its GHS classification with Warning signal word and pictograms GHS07 and GHS09. Companies using this substance must comply with occupational safety regulations and environmental protection requirements, particularly given its aquatic toxicity classification.

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 chemicals. OYSI provides this compound to research institutions, pharmaceutical companies, and industrial customers across Europe with proper documentation and regulatory compliance. As a professional chemical distributor, OYSI ensures quality standards, appropriate packaging, and technical support for customers requiring this specialized organic compound for their applications.

Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.