2,6-dibromo-4-[(E)-(2,4-dinitrophenoxy)iminomethyl]phenol

C13H7Br2N3O6

CAS13181-17-4
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
13181-17-4
EC Number
236-129-6
UN Number
3077
Index Number
609-032-00-5
PubChem CID
86287521

Physical-chemical properties

Molecular Formula
C13H7Br2N3O6
Molar Mass
461.02 g/mol
IUPAC Name
2,6-dibromo-4-[(E)-(2,4-dinitrophenoxy)iminomethyl]phenol

Chemical Identifiers

InChI
InChI=1S/C13H7Br2N3O6/c14-9-3-7(4-10(15)13(9)19)6-16-24-12-2-1-8(17(20)21)5-11(12)18(22)23/h1-6,19H/b16-6+
InChI Key
XTFNPKDYCLFGPV-OMCISZLKSA-N

Overview

2,6-dibromo-4-[(E)-(2,4-dinitrophenoxy)iminomethyl]phenol (CAS 13181-17-4) is a halogenated phenolic compound with antimicrobial and biocidal properties. This specialized brominated phenol derivative features a complex molecular structure combining multiple functional groups that contribute to its biological activity. With the molecular formula C13H7Br2N3O6 and a molecular weight of 461.02 g/mol, this compound represents an advanced chemical intermediate designed for specific industrial applications requiring potent antimicrobial efficacy. The presence of two bromine atoms at positions 2 and 6 on the phenol ring, combined with the dinitrophenoxy iminomethyl substituent, creates a molecule with enhanced stability and targeted biological activity. This structural complexity distinguishes it from simpler biocidal compounds and provides unique performance characteristics in demanding applications. From a safety perspective, this substance is classified under GHS as Acute Tox. 4 with aquatic toxicity concerns (Aquatic Acute 1, Aquatic Chronic 1), requiring careful handling protocols and environmental protection measures during use and disposal. The Warning signal word and associated pictogrammes GHS07 and GHS09 indicate the need for appropriate personal protective equipment and environmental safeguards. Primary industrial applications include antimicrobial formulations for specialized coatings, industrial preservation systems, and advanced material protection. While structurally distinct from compounds like 2-N,4-N-diethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine, it shares similar applications in biocidal systems where broad-spectrum efficacy is required. OYSI maintains reliable supply chains for this technical-grade compound, supporting European manufacturers requiring consistent quality and regulatory compliance for their specialized chemical processes.

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 NameBromophenoxim (ISO)
Marine PollutantNo

Frequently Asked Questions

What is 2,6-dibromo-4-[(E)-(2,4-dinitrophenoxy)iminomethyl]phenol?

2,6-dibromo-4-[(E)-(2,4-dinitrophenoxy)iminomethyl]phenol is a brominated phenolic compound with the molecular formula C13H7Br2N3O6 and CAS number 13181-17-4. This chemical substance has a molecular weight of 461.02 g/mol and features both bromine substituents and dinitrophenoxy groups in its structure. It is classified as a moderately hazardous chemical with acute toxicity and environmental concerns, requiring proper handling and storage protocols for safe use in industrial applications.

What are the physicochemical properties of 2,6-dibromo-4-[(E)-(2,4-dinitrophenoxy)iminomethyl]phenol?

2,6-dibromo-4-[(E)-(2,4-dinitrophenoxy)iminomethyl]phenol is a solid compound at room temperature with a molecular weight of 461.02 g/mol. The presence of bromine atoms and nitro groups contributes to its relatively high molecular weight and likely affects its solubility characteristics. As a phenolic derivative with multiple electron-withdrawing groups, it may exhibit limited water solubility but better solubility in organic solvents. The compound's stability and reactivity are influenced by its brominated aromatic structure.

What is 2,6-dibromo-4-[(E)-(2,4-dinitrophenoxy)iminomethyl]phenol used for?

2,6-dibromo-4-[(E)-(2,4-dinitrophenoxy)iminomethyl]phenol is primarily used as a chemical intermediate in organic synthesis and pharmaceutical research applications. Its unique structure containing bromine substituents and dinitrophenoxy groups makes it valuable for developing specialized compounds in laboratory settings. The substance may serve as a building block for more complex molecular structures or as a reagent in specific chemical reactions requiring its particular functional group arrangement.

How to handle 2,6-dibromo-4-[(E)-(2,4-dinitrophenoxy)iminomethyl]phenol safely?

2,6-dibromo-4-[(E)-(2,4-dinitrophenoxy)iminomethyl]phenol requires careful handling due to its Acute Tox. 4 classification and environmental hazards. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and protective clothing. Work should be conducted in well-ventilated areas or under fume extraction systems to prevent inhalation. Avoid direct skin and eye contact, and ensure proper training before handling. The GHS07 and GHS09 pictograms indicate both health and environmental hazards that must be respected during use.

How to store 2,6-dibromo-4-[(E)-(2,4-dinitrophenoxy)iminomethyl]phenol correctly?

2,6-dibromo-4-[(E)-(2,4-dinitrophenoxy)iminomethyl]phenol should be stored in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Keep containers tightly closed and properly labeled according to GHS requirements. Due to its environmental hazard classification (Aquatic Acute 1, Aquatic Chronic 1), prevent environmental release and store away from water sources. Use appropriate containment measures to prevent spills and ensure storage areas are accessible only to trained personnel with proper safety equipment.

What to do in case of contact with 2,6-dibromo-4-[(E)-(2,4-dinitrophenoxy)iminomethyl]phenol?

In case of skin contact with 2,6-dibromo-4-[(E)-(2,4-dinitrophenoxy)iminomethyl]phenol, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. For eye contact, rinse immediately with clean water for 15 minutes while holding eyelids open. If inhaled, move the person to fresh air immediately. In case of ingestion, do not induce vomiting and seek immediate medical attention. Always consult a poison control center or physician for specific medical advice.

How to dispose of 2,6-dibromo-4-[(E)-(2,4-dinitrophenoxy)iminomethyl]phenol appropriately?

2,6-dibromo-4-[(E)-(2,4-dinitrophenoxy)iminomethyl]phenol must be disposed of through licensed hazardous waste disposal facilities due to its environmental classification (Aquatic Acute 1, Aquatic Chronic 1). Never discharge into sewers, waterways, or soil. Collect waste in appropriate containers, properly labeled with hazard information. Contact authorized waste management companies for collection and treatment. Follow all local, national, and EU regulations regarding hazardous waste disposal, including proper documentation and waste tracking procedures.

How to transport 2,6-dibromo-4-[(E)-(2,4-dinitrophenoxy)iminomethyl]phenol?

2,6-dibromo-4-[(E)-(2,4-dinitrophenoxy)iminomethyl]phenol is classified as ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transport purposes. This classification requires appropriate packaging, marking, and labeling according to dangerous goods regulations. Transport documents must include proper shipping names and hazard classifications. Vehicles must carry appropriate emergency equipment and drivers need dangerous goods training. Ensure packages are properly secured and protected from damage during transit while following all applicable transport regulations.

Is 2,6-dibromo-4-[(E)-(2,4-dinitrophenoxy)iminomethyl]phenol subject to specific regulations?

2,6-dibromo-4-[(E)-(2,4-dinitrophenoxy)iminomethyl]phenol is subject to EU REACH regulation for registration, evaluation, and authorization of chemicals, though it is not currently listed as a Substance of Very High Concern (SVHC). The compound must comply with CLP regulation for classification, labeling, and packaging requirements, displaying appropriate GHS07 and GHS09 pictograms with Warning signal word. Transport is regulated under ADR dangerous goods legislation as Class 9, requiring compliance with packaging and documentation requirements.

Where to buy 2,6-dibromo-4-[(E)-(2,4-dinitrophenoxy)iminomethyl]phenol in Europe?

2,6-dibromo-4-[(E)-(2,4-dinitrophenoxy)iminomethyl]phenol is available through OYSI, a specialized European distributor of technical chemicals serving industrial and research customers across Europe. OYSI provides comprehensive support including technical documentation, safety data sheets, and regulatory compliance assistance for this compound. As an established chemical distributor, OYSI ensures proper handling, packaging, and delivery according to dangerous goods regulations while maintaining high quality standards for laboratory and industrial applications.

Data Sources

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