2-chloro-1,3-difluoro-4-nitrobenzene

C6H2ClF2NO2

CAS3847-58-3
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS05 Gefahrensymbol: Ätzend – Ätzwirkung
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
3847-58-3
EC Number
411-980-8
UN Number
3261
Index Number
609-057-00-1
PubChem CID
223080

Physical-chemical properties

Molecular Formula
C6H2ClF2NO2
Molar Mass
193.53 g/mol
IUPAC Name
2-chloro-1,3-difluoro-4-nitrobenzene

Chemical Identifiers

InChI
InChI=1S/C6H2ClF2NO2/c7-5-3(8)1-2-4(6(5)9)10(11)12/h1-2H
InChI Key
CTVBVNKEMCGZDF-UHFFFAOYSA-N

Overview

2-chloro-1,3-difluoro-4-nitrobenzene (CAS 3847-58-3) is a halogenated nitroaromatic compound with multiple reactive substituents on the benzene ring. This specialized chemical intermediate features a unique substitution pattern combining chlorine, fluorine, and nitro functional groups on a benzene framework. With a molecular formula of C6H2ClF2NO2 and molecular weight of 193.53 g/mol, this compound represents an important building block in organic synthesis where selective halogenation and nitro functionality are required. The presence of both electron-withdrawing groups (nitro and halogens) significantly influences its chemical reactivity and makes it particularly valuable for nucleophilic aromatic substitution reactions. The compound presents significant safety considerations due to its corrosive properties and potential toxicity. Classified under GHS pictograms including GHS05, GHS07, and GHS09, it requires careful handling protocols as it exhibits skin corrosion (category 1B), acute toxicity (category 4), and skin sensitization properties. Additionally, its aquatic toxicity classification necessitates environmental protection measures during storage and use. Transportation falls under ADR class 8, reflecting its corrosive nature. Industrial applications primarily focus on pharmaceutical intermediate synthesis and specialty chemical manufacturing, where the compound's unique substitution pattern enables the development of complex molecular structures. It also serves in the production of agrochemical intermediates and advanced materials where fluorinated aromatic compounds are essential. Unlike simpler compounds such as sodium N-methylcarbamodithioate, this molecule offers multiple reactive sites for selective chemical transformations. OYSI maintains reliable supply chains for 2-chloro-1,3-difluoro-4-nitrobenzene, ensuring consistent availability for European chemical manufacturers requiring this specialized intermediate.

Safety & Classification

Danger
Classification:

Acute Tox. 4 *; Skin Corr. 1B; 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.

H314

Causes severe skin burns and eye damage.

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

Harmful

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:

Eye Contact

Harmful

Measures if substance gets into the eyes

First Aid Actions

  • +P305IF IN EYES:
  • +P351Rinse cautiously with water for several minutes.
  • +P338Remove contact lenses, if present and easy to do. Continue rinsing.
  • +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 Number3261
ADR Class8
Packing GroupII
Tunnel CodeE
Proper Shipping Name3-Chlor-2,4-difluornitrobenzen
Marine PollutantNo

Frequently Asked Questions

What is 2-chloro-1,3-difluoro-4-nitrobenzene?

2-chloro-1,3-difluoro-4-nitrobenzene is an aromatic compound with the molecular formula C6H2ClF2NO2 and CAS number 3847-58-3. This substituted benzene ring contains chlorine, fluorine, and nitro functional groups, giving it a molecular weight of 193.53 g/mol. It is classified as a hazardous chemical requiring careful handling due to its corrosive and toxic properties.

What are the physicochemical properties of 2-chloro-1,3-difluoro-4-nitrobenzene?

2-chloro-1,3-difluoro-4-nitrobenzene is typically a solid crystalline compound at room temperature with characteristic properties of halogenated nitrobenzenes. The presence of electron-withdrawing groups (chlorine, fluorine, and nitro) significantly affects its reactivity and stability. Its solubility varies depending on the solvent polarity, with limited water solubility due to its aromatic halogenated structure.

What is 2-chloro-1,3-difluoro-4-nitrobenzene used for?

2-chloro-1,3-difluoro-4-nitrobenzene serves primarily as a chemical intermediate in pharmaceutical and agrochemical synthesis. Its multiple functional groups make it valuable for producing complex organic molecules through nucleophilic substitution reactions. It is commonly used in research laboratories and specialized chemical manufacturing for developing active pharmaceutical ingredients and advanced materials.

How to handle 2-chloro-1,3-difluoro-4-nitrobenzene safely?

Safe handling requires appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing due to its Skin Corr. 1B classification. Work should be conducted in well-ventilated areas or under fume hoods to prevent inhalation exposure. Avoid skin contact completely as the substance can cause severe burns and allergic reactions (Skin Sens. 1 classification).

How to store 2-chloro-1,3-difluoro-4-nitrobenzene correctly?

Proper storage requires keeping the substance in tightly sealed containers in a cool, dry, well-ventilated area away from incompatible materials. Store away from strong bases, reducing agents, and heat sources due to the reactive nature of the nitro group. Containers should be clearly labeled with hazard warnings and kept in secondary containment to prevent environmental release.

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

Immediate action is crucial due to the corrosive nature of this substance. For skin contact, remove contaminated clothing and flush the affected area with plenty of water for at least 15 minutes. Seek medical attention immediately for any exposure. For eye contact, rinse thoroughly with water and get immediate medical care. Remove affected persons from exposure area and ensure fresh air.

How to dispose of 2-chloro-1,3-difluoro-4-nitrobenzene appropriately?

Disposal must comply with local and international hazardous waste regulations due to its environmental hazard classification (Aquatic Acute 1, Aquatic Chronic 1). Contact licensed hazardous waste disposal companies for proper treatment. Never dispose of in regular waste streams or down drains. Incineration at authorized facilities with appropriate emission controls is typically the preferred disposal method for such compounds.

How to transport 2-chloro-1,3-difluoro-4-nitrobenzene?

Transportation follows ADR Class 8 regulations as a corrosive substance in Packing Group II. Packages must meet UN specification requirements with appropriate hazard labels and documentation. Transport vehicles need proper placarding and emergency response information. Only trained personnel should handle shipments, and transport must comply with dangerous goods regulations for road, rail, or sea transport.

Is 2-chloro-1,3-difluoro-4-nitrobenzene subject to specific regulations?

This substance is subject to REACH registration requirements in Europe and CLP classification regulations. While not currently listed as an SVHC (Substance of Very High Concern), its hazardous properties require compliance with occupational safety standards and environmental protection measures. Users must maintain safety data sheets and implement appropriate risk management measures according to local chemical safety legislation.

Where to buy 2-chloro-1,3-difluoro-4-nitrobenzene in Europe?

OYSI serves as a reliable European distributor for 2-chloro-1,3-difluoro-4-nitrobenzene, providing quality chemicals to industrial and research customers across Europe. As a specialized chemical distributor, OYSI ensures proper handling, documentation, and regulatory compliance for hazardous substances. Contact OYSI directly for availability, specifications, and delivery options tailored to your specific requirements.

Data Sources

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