Sodium 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate

C14H6ClF3NNaO5

sodium 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate

CAS62476-59-9
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS05 Gefahrensymbol: Ätzend – Ätzwirkung
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
62476-59-9
EC Number
263-560-7
UN Number
3077
Index Number
604-041-00-0
PubChem CID
44072

Physical-chemical properties

Molecular Formula
C14H6ClF3NNaO5
Molar Mass
383.64 g/mol
IUPAC Name
sodium 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate

Chemical Identifiers

InChI
InChI=1S/C14H7ClF3NO5.Na/c15-10-5-7(14(16,17)18)1-4-12(10)24-8-2-3-11(19(22)23)9(6-8)13(20)21;/h1-6H,(H,20,21);/q;+1/p-1
InChI Key
RVULBHWZFCBODE-UHFFFAOYSA-M

Overview

Sodium 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate (CAS 62476-59-9) is an organofluorine compound featuring chlorinated phenoxy and nitrobenzoate functional groups with significant biological activity. This specialized chemical compound represents a complex aromatic structure combining multiple functional moieties that contribute to its unique properties and applications. With a molecular formula of C14H6ClF3NNaO5 and molecular weight of 383.64 g/mol, this sodium salt derivative exhibits the characteristic features of halogenated phenoxy compounds commonly utilized in agricultural and pharmaceutical chemistry. The compound's structure incorporates several key functional elements: a trifluoromethyl group that enhances metabolic stability and lipophilicity, a chlorine substituent that modifies electronic properties, and a nitro group that contributes to its biological activity. These structural features place it within the broader family of phenoxy derivatives, sharing certain characteristics with related compounds such as 2-(4-chloro-2-methylphenoxy)acetic acid, though with distinctly different applications due to its unique substitution pattern. From a safety perspective, this compound requires careful handling protocols. It is classified under multiple hazard categories including acute toxicity (Category 4), skin irritation (Category 2), and serious eye damage (Category 1). The presence of GHS pictograms GHS07, GHS05, and GHS09 indicates its potential for causing harm to both human health and aquatic environments. Its classification as ADR Class 9 miscellaneous dangerous goods reflects the need for specialized transport and storage conditions. Industrial applications typically involve its use as an intermediate in pharmaceutical synthesis, agricultural chemical production, and specialized organic synthesis processes where its unique combination of functional groups provides specific reactivity patterns. OYSI maintains reliable supply chains for this technical-grade compound, supporting European industrial customers with consistent quality and regulatory compliance.

Safety & Classification

Danger
Classification:

Acute Tox. 4 *; Skin Irrit. 2; Eye Dam. 1; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful if swallowed.

H315

Causes skin irritation.

H318

Causes serious eye damage.

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

Skin Contact

Irritant

Measures if substance contacts the skin

First Aid Actions

  • +P302IF ON SKIN:
  • +P352Wash with plenty of water.
  • +P361Take off immediately all contaminated clothing.
  • +P313Get medical advice/attention.

Related hazard statements:

Eye Contact

Harmful

Measures if substance gets into the eyes

First Aid Actions

  • +P305IF IN EYES:
  • +P351Rinse cautiously with water for several minutes.
  • +P338Remove contact lenses, if present and easy to do. Continue rinsing.
  • +P313Get medical advice/attention.

Related hazard statements:

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 NameNatrium-5-[2-chlor-4-(trifluormethyl)phenoxy]-2-nitrobenzoat
Marine PollutantNo

Frequently Asked Questions

What is sodium 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate?

Sodium 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate is an organofluorine chemical compound with the molecular formula C14H6ClF3NNaO5 and CAS number 62476-59-9. This synthetic compound has a molecular weight of 383.64 g/mol and contains chlorine, fluorine, and nitro functional groups attached to a benzoate structure. It is classified as a hazardous substance requiring careful handling due to its toxicity and environmental impact potential.

What are the physicochemical properties of sodium 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate?

Sodium 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate is a solid compound at room temperature with a molecular weight of 383.64 g/mol. As a sodium salt of an organic acid, it typically exhibits good water solubility. The presence of trifluoromethyl and chloro substituents influences its chemical stability and reactivity. The compound's exact physical appearance, odor, and detailed solubility data should be confirmed through technical specifications from suppliers.

What is sodium 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate used for?

Sodium 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate is primarily used as a chemical intermediate in pharmaceutical and agrochemical synthesis. Its complex molecular structure containing halogen and nitro groups makes it valuable for developing specialized compounds in research and development applications. The compound may also serve as a precursor in the manufacture of herbicides, pesticides, or pharmaceutical active ingredients, though specific end-use applications depend on individual manufacturing processes.

How to handle sodium 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate safely?

Safe handling requires appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing due to its Acute Tox. 4, Skin Irrit. 2, and Eye Dam. 1 classifications. Work should be conducted in well-ventilated areas or under fume extraction systems. Avoid skin and eye contact, and prevent inhalation of dust or vapors. Emergency eyewash stations and safety showers should be readily accessible when handling this material.

How to store sodium 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate correctly?

Correct storage requires keeping the compound in tightly sealed containers in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Due to its environmental hazard classification (Aquatic Acute 1, Aquatic Chronic 1), storage areas must have appropriate containment measures to prevent environmental release. Store separately from incompatible materials such as strong bases, reducing agents, and oxidizing substances. Maintain proper labeling and inventory records.

What to do in case of contact with sodium 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate?

Immediate first aid measures include removing contaminated clothing and rinsing affected skin with plenty of water for at least 15 minutes. For eye contact, flush immediately with clean water for 15-20 minutes and seek immediate medical attention due to the Eye Dam. 1 classification. If inhaled, move the person to fresh air and seek medical advice if symptoms develop. In case of ingestion, rinse mouth and seek immediate medical attention without inducing vomiting.

How to dispose of sodium 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate appropriately?

Appropriate disposal must comply with local, national, and EU waste regulations due to its hazardous nature and environmental impact. The compound should be disposed of through licensed hazardous waste contractors and never released into sewers, soil, or waterways given its Aquatic Acute 1 and Aquatic Chronic 1 classifications. Empty containers should also be treated as hazardous waste. Consult local environmental authorities for specific disposal requirements and approved facilities.

How to transport sodium 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate?

Transportation is regulated under ADR Class 9 (Miscellaneous dangerous goods), Packing Group III, indicating moderate danger level during transport. Packages must comply with UN packaging requirements and carry appropriate hazard labels and documentation. Vehicles must be equipped with proper emergency equipment, and drivers require ADR training. Transportation should follow the shortest practical route while avoiding populated areas where possible and comply with all applicable dangerous goods regulations.

Is sodium 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate subject to specific regulations?

Yes, this compound is subject to multiple EU regulations including REACH registration requirements, CLP classification and labeling obligations, and potentially specific restrictions depending on intended use. It is not currently identified as a Substance of Very High Concern (SVHC). Users must comply with workplace safety regulations, environmental protection laws, and proper hazard communication requirements. Regular safety data sheet updates and worker training are mandatory for commercial handling.

Where to buy sodium 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate in Europe?

OYSI serves as a reliable European distributor for sodium 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate, offering professional chemical supply services across Europe. As specialized chemical distributors, OYSI ensures proper handling, documentation, and regulatory compliance for hazardous materials. For specific availability, quantities, and technical specifications, contact OYSI directly to discuss your requirements and obtain detailed product information including safety data sheets and certificates of analysis.

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Sodium 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate 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.