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 with herbicidal properties and significant environmental persistence concerns. This specialized chemical compound belongs to the phenoxybenzoate family and features a complex molecular structure incorporating chlorine, fluorine, and nitro functional groups. With the molecular formula C14H6ClF3NNaO5 and a molecular weight of 383.64 g/mol, this sodium salt demonstrates the sophisticated chemistry typical of modern agrochemical intermediates. The presence of the trifluoromethyl group significantly influences both its biological activity and environmental behavior, distinguishing it from simpler phenoxy compounds like 2-(4-chloro-2-methylphenoxy)acetic acid, which lacks the fluorinated substituents. The compound presents notable safety considerations, classified under multiple hazard categories including acute toxicity (Category 4), skin irritation, serious eye damage, and both acute and chronic aquatic toxicity. These classifications necessitate careful handling protocols and appropriate personal protective equipment during industrial processing. The GHS pictograms GHS07, GHS05, and GHS09 reflect these diverse hazard profiles, while its ADR Class 9 designation indicates specific transportation requirements for miscellaneous dangerous substances. Primary industrial applications include use as an active ingredient in selective herbicide formulations, particularly for broadleaf weed control in agricultural settings. The compound also serves as a key intermediate in the synthesis of related agrochemical products and finds application in specialized research and development programs focused on crop protection chemistry. OYSI maintains reliable supply chains for sodium 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate, supporting European customers with comprehensive technical documentation and regulatory compliance assistance for this specialized chemical intermediate.

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 compound with the molecular formula C14H6ClF3NNaO5 and CAS number 62476-59-9. This chemical substance has a molecular weight of 383.64 g/mol and contains chlorine, fluorine, and nitro functional groups. It is classified as a hazardous substance requiring careful handling due to its toxicity and environmental impact properties.

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. The presence of the sodium salt form typically makes it water-soluble, while the trifluoromethyl and chloro substituents contribute to its chemical stability. The nitro group provides characteristic yellow coloration common to nitroaromatic compounds, though specific physical properties should be verified from safety data sheets.

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 an intermediate in pharmaceutical synthesis and agrochemical manufacturing. Its complex structure containing fluorine, chlorine, and nitro groups makes it valuable in the production of specialized organic compounds. The substance may also serve as a building block in research and development applications for creating more complex molecular structures in chemical industries.

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

Sodium 5-[2-chloro-4-(trifluoromethyl)phenoxy]-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 and skin/eye irritation potential, avoid direct contact with skin and eyes. Emergency eyewash stations and safety showers should be readily accessible.

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

Sodium 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate should be stored in a cool, dry, well-ventilated area away from incompatible materials. Keep containers tightly sealed and protected from moisture and heat sources. Due to its environmental hazard classification, storage areas must have appropriate containment measures to prevent environmental release. Store away from strong oxidizers and reducing agents, and maintain proper inventory control and labeling systems.

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

Immediate action is required in case of contact with sodium 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate. For skin contact, remove contaminated clothing and wash thoroughly with soap and water. In case of eye contact, flush immediately with clean water for at least 15 minutes and seek medical attention due to its Eye Dam. 1 classification. If inhaled, move to fresh air immediately. Seek medical attention if symptoms persist or worsen after exposure.

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

Sodium 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate must be disposed of as hazardous waste through licensed waste management facilities. Due to its Aquatic Acute 1 and Aquatic Chronic 1 classifications, it cannot be released into the environment or municipal waste systems. Contact authorized chemical waste disposal companies and follow local and EU regulations including the Waste Framework Directive for proper disposal documentation and handling procedures.

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

Sodium 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate is classified as ADR Class 9 (Miscellaneous Dangerous Goods), Packing Group III for transport purposes. This requires appropriate UN-specification packaging, proper labeling with Class 9 hazard labels, and accompanying transport documentation. Drivers must hold ADR certification for Class 9 materials, and vehicles should carry appropriate emergency equipment. Ensure packages are secured and protected from damage during transit.

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

Sodium 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate is subject to EU REACH registration requirements and CLP classification as indicated by its GHS pictograms (GHS05, GHS07, GHS09). While not currently listed as an SVHC, it requires safety data sheet provision and proper hazard communication. Users must comply with occupational exposure limits, environmental discharge restrictions, and waste management regulations. Import/export may require additional notifications depending on quantities and applications.

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

Sodium 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound with complete regulatory documentation, safety data sheets, and technical support for industrial and research applications. As an established chemical distributor, OYSI ensures compliance with EU regulations and maintains quality standards for specialty chemicals across European markets.

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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.