3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol

C13H6Cl6O2

CAS70-30-4
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
70-30-4
EC Number
200-733-8
UN Number
2875
Index Number
604-015-00-9
PubChem CID
3598

Physical-chemical properties

Molecular Formula
C13H6Cl6O2
Molar Mass
406.90 g/mol
IUPAC Name
3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol

Chemical Identifiers

InChI
InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2
InChI Key
ACGUYXCXAPNIKK-UHFFFAOYSA-N

Overview

3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol (CAS 70-30-4) is a hexachlorinated bisphenol compound with potent antimicrobial and preservative properties. This highly chlorinated phenolic compound, also known by its EC number 200-733-8, represents a specialized class of halogenated organic chemicals with significant industrial applications. With a molecular formula of C13H6Cl6O2 and molecular weight of 406.9 g/mol, this substance exhibits the characteristic properties of polychlorinated phenols, including exceptional chemical stability and broad-spectrum antimicrobial activity. The compound's structure features two phenol rings connected by a methylene bridge, with six chlorine substituents strategically positioned to enhance its biocidal efficacy. This structural configuration provides superior resistance to microbial degradation while maintaining effective antimicrobial properties across various pH conditions and temperatures. Safety considerations are paramount when handling this substance, as indicated by its ADR Class 6.1 classification and GHS pictograms GHS06 and GHS09. The material presents acute toxicity hazards and poses significant risks to aquatic environments, requiring specialized handling procedures and environmental protection measures. Its classification as Aquatic Acute 1 and Aquatic Chronic 1 emphasizes the need for careful containment and disposal protocols. Primary industrial applications include specialized antimicrobial formulations, preservation systems for technical materials, and protective coatings where long-term microbial resistance is essential. Unlike simpler compounds such as [4-(dimethylamino)-3-methylphenyl] N-methylcarbamate, this hexachlorinated structure provides enhanced persistence and broader spectrum activity. The compound also finds use in applications where ethyl 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]acetate might be considered but superior chlorinated phenol performance is required. OYSI maintains reliable supply chains for this specialized chemical, ensuring consistent availability for qualified industrial customers requiring high-purity hexachlorinated phenolic compounds.

Safety & Classification

Danger
Classification:

Acute Tox. 3 *; Acute Tox. 3 *; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H311

Toxic in contact with skin.

H301

Toxic 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

Skin Contact

Toxic

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:

Ingestion

Toxic

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 Number2875
ADR Class6.1
Packing GroupIII
Tunnel CodeE
Proper Shipping NameHexachlorophen, fest
Marine PollutantNo

Frequently Asked Questions

What is 3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol?

3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol is a highly chlorinated phenolic compound with the molecular formula C13H6Cl6O2 and CAS number 70-30-4. This organochlorine substance has a molecular weight of 406.9 g/mol and contains six chlorine atoms in its structure. It is classified as an acute toxic substance and presents significant environmental hazards, particularly to aquatic ecosystems. The compound exhibits antimicrobial properties due to its heavily chlorinated structure.

What are the physicochemical properties of 3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol?

3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol is typically a crystalline solid at room temperature with a characteristic phenolic odor. The compound exhibits low water solubility due to its highly chlorinated structure and hydrophobic nature. It demonstrates good stability under normal conditions but may decompose under extreme heat or alkaline conditions. The presence of multiple chlorine substituents significantly affects its physical properties, including melting point, vapor pressure, and partition coefficients.

What is 3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol used for?

3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol is primarily used as an antimicrobial and preservative agent in various industrial applications. Its strong biocidal properties make it valuable in specialized formulations requiring effective microbial control. The compound may be utilized in research and development activities, particularly in studies involving chlorinated phenolic compounds. Due to its toxicological profile, its use is typically restricted to professional and industrial applications under controlled conditions.

How to handle 3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol safely?

3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol requires strict safety measures due to its Acute Tox. 3 classification and GHS06 pictogram. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and appropriate respiratory protection. Work should be conducted in well-ventilated areas or under fume extraction systems. Avoid direct skin contact, inhalation, and ingestion. Implement proper hygiene procedures including thorough handwashing after handling. Emergency equipment should be readily available in work areas.

How to store 3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol correctly?

3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol should be stored in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Use tightly sealed, chemically compatible containers to prevent contamination and moisture absorption. Storage areas must be secure and accessible only to trained personnel due to the substance's toxicity. Maintain separation from incompatible materials and implement appropriate secondary containment measures. Regular inspection of containers and storage conditions is essential to ensure product integrity and safety.

What to do in case of contact with 3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol?

Immediate first aid measures are crucial following exposure to 3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol. For skin contact, remove contaminated clothing and wash thoroughly with soap and water for at least 15 minutes. If inhaled, move to fresh air immediately and seek medical attention if breathing difficulties occur. For eye contact, flush with clean water for 15 minutes and remove contact lenses if present. Never induce vomiting if ingested. Seek immediate medical attention for all exposure routes and provide safety data sheet to medical personnel.

How to dispose of 3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol properly?

3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol must be disposed of through licensed hazardous waste disposal facilities due to its toxicity and environmental hazard classification. The substance cannot be disposed of in regular waste streams or discharged to water systems given its Aquatic Acute 1 and Aquatic Chronic 1 classifications. Waste should be properly packaged, labeled, and documented according to local and European waste regulations. Consult with certified waste management companies for appropriate treatment methods and comply with all applicable environmental legislation.

How to transport 3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol?

3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol is classified as ADR Class 6.1 (toxic substances) Packing Group III for transportation purposes. Proper shipping requires UN-approved packaging suitable for toxic solids, appropriate hazard labels, and correct documentation including safety data sheets. Vehicles must comply with ADR requirements for toxic substance transport, including proper ventilation and emergency equipment. Drivers require ADR certification and appropriate training. Consult current ADR regulations and work with certified transport companies experienced in hazardous material handling.

Is 3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol subject to specific regulations?

3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol is subject to various European chemical regulations including REACH registration requirements and CLP classification obligations. While not currently listed as an SVHC (Substance of Very High Concern), its acute toxicity and environmental hazard classifications trigger specific handling, labeling, and notification requirements. Users must comply with occupational exposure limits where established, environmental discharge restrictions, and waste management regulations. Regular monitoring of regulatory updates is essential as restrictions may evolve based on risk assessments.

Where to buy 3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol in Europe?

3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol is available through OYSI, a specialized European distributor of technical chemicals serving industrial and research customers. OYSI provides this substance with full regulatory compliance, proper documentation, and technical support. As a professional-grade chemical with specific hazard classifications, purchase requires verification of legitimate end-use and appropriate handling capabilities. Contact OYSI's technical team for availability, specifications, and regulatory guidance to ensure compliance with European chemical regulations and safe handling requirements.

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3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol 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.