1,2,4,5-tetrachloro-3-nitrobenzene

C6HCl4NO2

CAS117-18-0
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
117-18-0
EC Number
204-178-2
UN Number
3077
Index Number
609-044-00-0
PubChem CID
8330

Physical-chemical properties

Molecular Formula
C6HCl4NO2
Molar Mass
260.90 g/mol
IUPAC Name
1,2,4,5-tetrachloro-3-nitrobenzene

Chemical Identifiers

InChI
InChI=1S/C6HCl4NO2/c7-2-1-3(8)5(10)6(4(2)9)11(12)13/h1H
InChI Key
XQTLDIFVVHJORV-UHFFFAOYSA-N

Overview

1,2,4,5-tetrachloro-3-nitrobenzene (CAS 117-18-0) is a chlorinated nitroaromatic compound with tetrachlorinated benzene structure and nitro functional group substitution. This highly chlorinated aromatic compound represents a specialized chemical intermediate in organic synthesis, characterized by its unique substitution pattern of four chlorine atoms and one nitro group on the benzene ring. With the molecular formula C6HCl4NO2 and molecular weight of 260.9 g/mol, this substance exhibits properties typical of heavily halogenated aromatics, including chemical stability and specific reactivity patterns that make it valuable for targeted synthetic applications. The compound's safety profile requires careful handling protocols, as it is classified under multiple hazard categories including Acute Toxicity 4, Skin Sensitization 1, and Aquatic Toxicity (both acute and chronic). The GHS07 and GHS09 pictograms reflect its potential health and environmental hazards, while its ADR Class 9 classification indicates miscellaneous dangerous goods requiring appropriate transport precautions. Professional users must implement adequate ventilation, personal protective equipment, and environmental containment measures during handling and storage. Industrial applications primarily focus on pharmaceutical intermediate synthesis, specialty chemical manufacturing, and research applications where the specific chlorination pattern provides unique reactivity. The compound serves as a building block for more complex molecules, particularly in cases requiring selective substitution reactions. Unlike simpler chlorinated compounds such as 4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate, this tetrachlorinated structure offers distinct synthetic pathways for specialized applications. The compound finds particular utility in academic research and specialized manufacturing processes where precise molecular architecture is essential. OYSI maintains this specialized chemical in our technical product portfolio, supporting European customers with reliable supply and comprehensive technical documentation for industrial and research applications.

Safety & Classification

Warning
Classification:

Acute Tox. 4 *; Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful if swallowed.

H317

May cause an allergic skin reaction.

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:

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 NameTecnazen (ISO)
Marine PollutantNo

Frequently Asked Questions

What is 1,2,4,5-tetrachloro-3-nitrobenzene?

1,2,4,5-tetrachloro-3-nitrobenzene is a chlorinated aromatic compound with the molecular formula C6HCl4NO2 and CAS number 117-18-0. This chemical features a benzene ring substituted with four chlorine atoms at positions 1, 2, 4, and 5, plus a nitro group at position 3. With a molecular weight of 260.9 g/mol, it belongs to the family of halogenated nitroaromatic compounds used in various industrial applications.

What are the physicochemical properties of 1,2,4,5-tetrachloro-3-nitrobenzene?

1,2,4,5-tetrachloro-3-nitrobenzene is typically a crystalline solid at room temperature with a yellowish appearance. The compound has limited water solubility due to its highly chlorinated structure but shows better solubility in organic solvents. Its high chlorine content contributes to its stability and resistance to degradation. The presence of both electron-withdrawing nitro and chlorine groups significantly influences its chemical reactivity and physical properties.

What is 1,2,4,5-tetrachloro-3-nitrobenzene used for?

1,2,4,5-tetrachloro-3-nitrobenzene serves as an important intermediate in organic synthesis and pharmaceutical manufacturing. It is primarily used in the production of specialized chemicals, dyes, and pigments. The compound also finds applications in research laboratories for synthetic chemistry studies and as a building block for more complex molecular structures. Its unique substitution pattern makes it valuable for specific industrial processes requiring chlorinated aromatic intermediates.

How to handle 1,2,4,5-tetrachloro-3-nitrobenzene safely?

Safe handling of 1,2,4,5-tetrachloro-3-nitrobenzene requires appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing to prevent skin contact. Work should be conducted in well-ventilated areas or under fume hoods. The substance is classified as Acute Tox. 4 and Skin Sens. 1, requiring careful handling to avoid inhalation, ingestion, or dermal exposure. Regular safety training and emergency procedures should be in place.

How to store 1,2,4,5-tetrachloro-3-nitrobenzene correctly?

1,2,4,5-tetrachloro-3-nitrobenzene should be stored in a cool, dry, well-ventilated area away from heat sources and incompatible materials. The substance must be kept in tightly sealed, properly labeled containers made of compatible materials. Storage areas should be equipped with appropriate spill containment measures and restricted access. Regular inspection of containers for signs of deterioration or leakage is essential to maintain safe storage conditions.

What to do in case of contact with 1,2,4,5-tetrachloro-3-nitrobenzene?

Immediate action is required if contact occurs with 1,2,4,5-tetrachloro-3-nitrobenzene. For skin contact, remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. In case of eye contact, rinse immediately with clean water for 15 minutes while keeping eyelids open. If inhaled, move the person to fresh air immediately. Seek medical attention promptly for all exposure incidents, especially given its skin sensitizing properties.

How to dispose of 1,2,4,5-tetrachloro-3-nitrobenzene properly?

Disposal of 1,2,4,5-tetrachloro-3-nitrobenzene must comply with local and national hazardous waste regulations due to its environmental classification (Aquatic Acute 1, Aquatic Chronic 1). The substance should be collected and disposed of through licensed hazardous waste contractors capable of handling chlorinated organic compounds. Incineration at appropriate high-temperature facilities is typically the preferred disposal method. Never discharge into sewers, waterways, or general waste streams.

How to transport 1,2,4,5-tetrachloro-3-nitrobenzene?

Transportation of 1,2,4,5-tetrachloro-3-nitrobenzene falls under ADR Class 9 (Miscellaneous dangerous substances), Packing Group III. Packages must be properly labeled with appropriate hazard markings and shipping documentation. The substance requires UN specification packaging suitable for Packing Group III materials. Transport vehicles must carry appropriate emergency equipment and drivers should have ADR certification. All transport operations must comply with applicable dangerous goods regulations.

Is 1,2,4,5-tetrachloro-3-nitrobenzene subject to specific regulations?

1,2,4,5-tetrachloro-3-nitrobenzene is subject to various regulatory frameworks including REACH registration requirements in Europe and CLP classification obligations. While not currently listed as a Substance of Very High Concern (SVHC), it must be handled according to its hazard classifications including acute toxicity and skin sensitization warnings. Companies using this substance must maintain safety data sheets, implement appropriate risk management measures, and comply with occupational exposure limits where established.

Where to buy 1,2,4,5-tetrachloro-3-nitrobenzene in Europe?

OYSI serves as a reliable European distributor for 1,2,4,5-tetrachloro-3-nitrobenzene, offering this specialty chemical to industrial customers across Europe. As an established chemical distributor, OYSI provides proper documentation, safety data sheets, and regulatory compliance support for this substance. Professional customers requiring this compound for legitimate industrial applications can contact OYSI for availability, technical specifications, and ordering information through their European distribution network.

Data Sources

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