2-chloro-1,3,5-trinitrobenzene

C6H2ClN3O6

CAS88-88-0
GHS01 Gefahrensymbol: Explosionsgefährlich – Explodierende Bombe
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
88-88-0
EC Number
201-864-3
UN Number
0155
Index Number
610-004-00-X
PubChem CID
6953

Physical-chemical properties

Molecular Formula
C6H2ClN3O6
Molar Mass
247.55 g/mol
IUPAC Name
2-chloro-1,3,5-trinitrobenzene

Chemical Identifiers

InChI
InChI=1S/C6H2ClN3O6/c7-6-4(9(13)14)1-3(8(11)12)2-5(6)10(15)16/h1-2H
InChI Key
HJRJRUMKQCMYDL-UHFFFAOYSA-N

Overview

2-chloro-1,3,5-trinitrobenzene (CAS 88-88-0) is a highly explosive nitroaromatic compound with three nitro groups and significant industrial safety considerations. This chlorinated trinitrobenzene derivative represents a critical chemical intermediate in specialized industrial applications, particularly where controlled explosive properties are required. The compound features a benzene ring substituted with three nitro groups at positions 1, 3, and 5, along with a chlorine atom at position 2, giving it the molecular formula C6H2ClN3O6 and a molecular weight of 247.55 g/mol. Its structure places it within the same family as other polynitroaromatic compounds such as 2-methyl-1,3,5-trinitrobenzene, sharing similar explosive characteristics but with distinct chemical reactivity due to the chlorine substitution. The compound exhibits extreme hazard classifications, including Explosive Category 1.1 and Acute Toxicity Categories 1 and 2, requiring specialized handling protocols and storage conditions. Its explosive nature demands strict adherence to ADR Class 1 transportation regulations, while its acute toxicity profile necessitates comprehensive personal protective equipment during handling. Environmental considerations are equally critical, as the substance carries Aquatic Acute 1 and Aquatic Chronic 1 classifications, indicating significant potential for ecological harm. Primary industrial applications include specialized explosive formulations, research and development in energetic materials, and as a chemical intermediate in pharmaceutical synthesis where controlled reactivity is essential. The compound's unique substitution pattern makes it valuable in applications requiring specific detonation characteristics or as a precursor in complex organic synthesis pathways. OYSI maintains strict quality standards and regulatory compliance for this specialized chemical, ensuring safe supply chain management for qualified industrial customers.

Safety & Classification

Danger
Classification:

Expl. 1.1; Acute Tox. 2 *; Acute Tox. 1; Acute Tox. 2 *; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H201

Explosive; mass explosion hazard.

H330

Fatal if inhaled.

H310

Fatal in contact with skin.

H300

Fatal 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

Inhalation

Fatal

Measures if vapours or dust are inhaled

First Aid Actions

  • +P304IF INHALED:
  • +P340Remove person to fresh air and keep comfortable for breathing.
  • +P311Call a POISON CENTER/doctor.

Related hazard statements:

Skin Contact

Fatal

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

Fatal

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 Number0155
ADR Class1
Packing Group
Tunnel CodeB1000C
Proper Shipping NameTrinitrochlorbenzen, nicht pulverförmig
Marine PollutantNo

Frequently Asked Questions

What is 2-chloro-1,3,5-trinitrobenzene?

2-chloro-1,3,5-trinitrobenzene is an explosive aromatic compound with the molecular formula C6H2ClN3O6 and CAS number 88-88-0. This chemical belongs to the nitroaromatic family and features a benzene ring substituted with one chlorine atom and three nitro groups. With a molecular weight of 247.55 g/mol, it is classified as an explosive substance (Expl. 1.1) and presents significant toxicity hazards. The compound is primarily used in specialized industrial applications requiring energetic materials.

What are the physicochemical properties of 2-chloro-1,3,5-trinitrobenzene?

2-chloro-1,3,5-trinitrobenzene is typically a crystalline solid at room temperature with a pale yellow to light brown color. The compound has limited solubility in water due to its aromatic structure but may dissolve in organic solvents. As a nitroaromatic compound, it exhibits high density and thermal sensitivity. The presence of both electron-withdrawing nitro groups and chlorine substituent significantly affects its chemical reactivity and physical stability, making it sensitive to shock, friction, and heat.

What is 2-chloro-1,3,5-trinitrobenzene used for?

2-chloro-1,3,5-trinitrobenzene is primarily used as an intermediate in the synthesis of explosives and energetic materials for military and specialized industrial applications. The compound serves as a precursor in the manufacture of various nitroaromatic derivatives and may be utilized in research and development of explosive formulations. Due to its high toxicity and explosive classification, its use is restricted to specialized facilities with appropriate safety measures and regulatory compliance for handling explosive substances.

How to handle 2-chloro-1,3,5-trinitrobenzene safely?

2-chloro-1,3,5-trinitrobenzene requires extreme caution due to its explosive and highly toxic nature. Personnel must wear full protective equipment including chemical-resistant gloves, safety goggles, and respiratory protection in well-ventilated areas. Avoid any sources of ignition, friction, or shock during handling. Use only non-sparking tools and equipment designed for explosive materials. Work in small quantities and ensure proper grounding to prevent static electricity buildup. Emergency procedures and trained personnel must be available at all times.

How to store 2-chloro-1,3,5-trinitrobenzene correctly?

2-chloro-1,3,5-trinitrobenzene must be stored in specialized explosive storage facilities meeting strict regulatory requirements. Store in original containers in cool, dry conditions away from heat sources, incompatible materials, and potential ignition sources. The storage area should be designed to contain potential explosions and limit access to authorized personnel only. Maintain stable temperatures and avoid mechanical shock. Keep away from reducing agents, metals, and organic materials that could increase sensitivity or cause unwanted reactions.

What to do in case of contact with 2-chloro-1,3,5-trinitrobenzene?

Immediate action is required due to the compound's acute toxicity. For skin contact, remove contaminated clothing and rinse affected area with copious amounts of water for at least 15 minutes. If inhaled, move victim to fresh air immediately and seek medical attention. For eye contact, flush with water for at least 15 minutes and remove contact lenses if present. In case of ingestion, do not induce vomiting and seek immediate medical assistance. Always contact emergency services and provide the safety data sheet to medical personnel.

How to dispose of 2-chloro-1,3,5-trinitrobenzene appropriately?

2-chloro-1,3,5-trinitrobenzene disposal requires specialized hazardous waste management procedures due to its explosive and toxic classification. The compound must be disposed of through licensed hazardous waste contractors experienced in handling explosive materials. Incineration in specialized facilities designed for energetic materials is typically required. Never attempt disposal through regular waste streams or sewage systems. Contact local environmental authorities for specific disposal requirements and ensure compliance with national and international regulations governing explosive waste materials.

How to transport 2-chloro-1,3,5-trinitrobenzene?

2-chloro-1,3,5-trinitrobenzene is classified as ADR Class 1 dangerous goods, requiring specialized transport procedures for explosive materials. Transportation must comply with international dangerous goods regulations including proper packaging, labeling, and documentation. Only authorized carriers with explosive transport permits can handle shipment. Vehicles must meet specific safety requirements and drivers need special training certification. Routing restrictions may apply to avoid populated areas and sensitive infrastructure. Emergency response information must accompany all shipments.

Is 2-chloro-1,3,5-trinitrobenzene subject to particular regulations?

2-chloro-1,3,5-trinitrobenzene is subject to extensive regulations due to its explosive and toxic properties. Under REACH and CLP regulations, it requires proper classification, labeling, and safety data sheets. The compound may be subject to authorization requirements and restrictions on use. National explosive regulations control its manufacture, storage, and handling. Export/import controls may apply due to its potential dual-use nature. Organizations must obtain appropriate licenses and permits before acquiring or using this substance in most jurisdictions.

Where to buy 2-chloro-1,3,5-trinitrobenzene in Europe?

2-chloro-1,3,5-trinitrobenzene is available through specialized chemical distributors with appropriate licenses for explosive materials. OYSI, as a European chemical distributor, can provide information on availability and regulatory requirements for this controlled substance. Due to the explosive classification and regulatory restrictions, procurement requires proper licensing, end-user certificates, and compliance documentation. Contact OYSI's technical team to discuss specific requirements, regulatory compliance, and availability for your authorized applications in accordance with applicable explosive materials regulations.

Data Sources

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