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 highly chlorinated aromatic compound with significant industrial applications and environmental considerations. This tetrachlorinated nitrobenzene derivative represents an important class of halogenated aromatic compounds widely used in chemical synthesis and industrial processes. With its molecular formula C6HCl4NO2 and molecular weight of 260.9 g/mol, this compound exhibits the characteristic properties of heavily substituted benzene rings, where four chlorine atoms and one nitro group create a highly reactive synthetic intermediate. The compound's structure, featuring multiple chlorine substitutions on the benzene ring alongside a nitro group, makes it particularly valuable in pharmaceutical and agrochemical synthesis pathways. This substitution pattern is similar to other chlorinated aromatics, though distinct from related compounds such as 4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate, which features different functional group arrangements for specialized applications. From a safety perspective, 1,2,4,5-tetrachloro-3-nitrobenzene requires careful handling due to its classification as Acute Tox. 4, Skin Sens. 1, and its significant aquatic toxicity (Aquatic Acute 1; Aquatic Chronic 1). The compound carries Warning signal word and displays GHS07 and GHS09 pictograms, indicating both health hazards and environmental dangers. Its ADR Class 9 classification reflects its status as a miscellaneous dangerous substance requiring specialized transport protocols. Primary industrial applications include use as a synthetic intermediate in pharmaceutical manufacturing, agrochemical production, and specialty chemical synthesis. The compound serves as a building block for more complex molecules, particularly in the development of crop protection agents and medicinal compounds. OYSI provides reliable access to 1,2,4,5-tetrachloro-3-nitrobenzene for qualified industrial customers across Europe, ensuring consistent supply for critical manufacturing processes.

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 an organochlorine compound with the molecular formula C6HCl4NO2 and CAS number 117-18-0. This chemical substance belongs to the family of chlorinated nitroaromatic compounds, featuring a benzene ring substituted with four chlorine atoms and one nitro group. With a molecular weight of 260.9 g/mol, it is classified as hazardous with acute toxicity, skin sensitization, and aquatic toxicity properties under GHS classification.

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

1,2,4,5-tetrachloro-3-nitrobenzene is typically a solid crystalline substance at room temperature due to its high degree of chlorination and nitro substitution. The compound exhibits limited water solubility due to its hydrophobic chlorinated aromatic structure, but shows better solubility in organic solvents. Its molecular weight of 260.9 g/mol and highly substituted benzene ring contribute to its stability and relatively high melting point compared to less substituted analogues.

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

1,2,4,5-tetrachloro-3-nitrobenzene is primarily used as an intermediate in organic synthesis and chemical manufacturing processes. It serves as a precursor for the production of other chlorinated aromatic compounds, pharmaceuticals, and specialty chemicals. The compound may also find applications in research and development activities within the chemical industry, particularly in the synthesis of complex organic molecules requiring specific chlorination patterns and nitro functionality.

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 due to its Acute Tox. 4 and Skin Sens. 1 classifications. Work should be conducted in well-ventilated areas or under fume hoods to prevent inhalation. Avoid direct skin contact and ensure proper hygiene measures. The substance carries GHS07 and GHS09 pictograms, indicating health and environmental hazards requiring careful handling protocols.

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

1,2,4,5-tetrachloro-3-nitrobenzene should be stored in tightly sealed containers in a cool, dry, and well-ventilated area away from heat sources and incompatible materials. Given its environmental hazard classification (Aquatic Acute 1, Aquatic Chronic 1), storage areas must have appropriate containment measures to prevent environmental release. Keep containers properly labeled and store separately from oxidizing agents, strong bases, and reducing agents to prevent unwanted reactions.

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

Immediate action is required in case of contact with 1,2,4,5-tetrachloro-3-nitrobenzene due to its acute toxicity and skin sensitization properties. For skin contact, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. In case of eye contact, flush with clean water for 15 minutes. If inhaled, move to fresh air immediately. Seek medical attention if symptoms develop or persist after exposure.

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

Disposal of 1,2,4,5-tetrachloro-3-nitrobenzene must comply with local and European waste regulations due to its hazardous classification. The substance requires disposal as hazardous waste through licensed waste management facilities capable of handling chlorinated organic compounds. Incineration at high temperatures in specialized facilities is typically the preferred method. Never dispose of this material in regular waste streams or discharge into sewers due to its aquatic toxicity classification.

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

Transportation of 1,2,4,5-tetrachloro-3-nitrobenzene is regulated under ADR classification as Class 9 (Miscellaneous dangerous substances), Packing Group III. This classification requires appropriate packaging, labeling, and documentation for road transport. Containers must be properly secured and labeled with the correct hazard markings. Transport vehicles should carry appropriate emergency equipment, and drivers must be trained in hazardous materials handling procedures according to ADR regulations.

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

1,2,4,5-tetrachloro-3-nitrobenzene is subject to various European chemical regulations including REACH registration requirements and CLP classification. While not currently listed as an SVHC (Substance of Very High Concern), it must comply with standard chemical safety requirements. The substance falls under hazardous chemical regulations due to its acute toxicity, skin sensitization, and environmental hazard classifications, requiring appropriate risk management measures and safety data sheet provision.

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

1,2,4,5-tetrachloro-3-nitrobenzene is available through OYSI, a specialized European distributor of technical chemicals. As a professional chemical supplier, OYSI can provide this substance with appropriate documentation, safety data sheets, and regulatory compliance support. Contact OYSI directly for availability, specifications, and technical support for your specific application requirements. Professional handling and regulatory expertise ensure safe and compliant supply of this hazardous substance.

Data Sources

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