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 aromatic compound featuring multiple reactive substituents on a benzene ring structure. This specialized chemical intermediate represents a highly functionalized benzene derivative containing chlorine, fluorine, and nitro substituents in specific positions. With the molecular formula C6H2ClF2NO2 and a molecular weight of 193.53 g/mol, this compound exhibits unique reactivity patterns due to the electron-withdrawing effects of its multiple substituents. The strategic positioning of the chloro, difluoro, and nitro groups makes it particularly valuable for selective chemical transformations in organic synthesis. The compound presents significant safety considerations, classified under multiple hazard categories including acute toxicity, skin corrosion, skin sensitization, and aquatic toxicity. It requires careful handling procedures consistent with ADR Class 8 materials and displays GHS pictograms for health hazards, corrosion, and environmental dangers. The presence of both halogen atoms and the nitro group contributes to its reactivity profile and necessitates appropriate containment and personal protective equipment during handling. Industrial applications primarily center on pharmaceutical intermediate synthesis and agrochemical manufacturing, where the compound serves as a building block for more complex molecules. The combination of chlorine and fluorine substituents provides versatility for nucleophilic aromatic substitution reactions, while the nitro group offers potential for reduction to amino derivatives. This reactivity profile differs significantly from simpler halogenated compounds like 2,6-dichloro-1-fluoropyridin-1-ium tetrafluoroborate, which features a pyridine rather than benzene core structure. OYSI maintains reliable supply chains for 2-chloro-1,3-difluoro-4-nitrobenzene to support European industrial customers requiring this specialized chemical 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 organic compound with the molecular formula C6H2ClF2NO2 and CAS number 3847-58-3. This halogenated nitrobenzene derivative features chlorine, fluorine, and nitro functional groups attached to a benzene ring, giving it a molecular weight of 193.53 g/mol. It is classified as a hazardous chemical requiring special handling and safety precautions.

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

2-chloro-1,3-difluoro-4-nitrobenzene is a solid aromatic compound at room temperature with distinct chemical properties due to its halogen and nitro substituents. The presence of electronegative fluorine and chlorine atoms, combined with the nitro group, creates a highly polar molecule with specific solubility characteristics. Its exact physical appearance, odor, and detailed solubility data require consultation of technical datasheets for specific applications.

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

2-chloro-1,3-difluoro-4-nitrobenzene serves as an important chemical intermediate in pharmaceutical and agrochemical synthesis. The compound's multiple functional groups make it valuable for building complex molecular structures through various chemical transformations. It is typically used in research and development applications, fine chemical manufacturing, and as a starting material for producing specialized compounds in industrial chemistry.

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

2-chloro-1,3-difluoro-4-nitrobenzene requires careful handling due to its corrosive and sensitizing properties. Essential PPE includes chemical-resistant gloves, safety goggles, and protective clothing to prevent skin and eye contact. Work should be conducted in well-ventilated areas or under fume extraction systems. Avoid inhalation and ensure proper training on emergency procedures before handling this substance.

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

2-chloro-1,3-difluoro-4-nitrobenzene should be stored in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Keep containers tightly closed and properly labeled in accordance with GHS requirements. Storage areas must be equipped with appropriate spill containment measures and emergency equipment. Segregate from strong bases, reducing agents, and other reactive chemicals to prevent dangerous reactions.

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

Immediate action is required for any contact with 2-chloro-1,3-difluoro-4-nitrobenzene due to its corrosive properties. For skin contact, immediately remove contaminated clothing and rinse with copious amounts of water for at least 15 minutes. In case of eye contact, flush with water and seek immediate medical attention. If inhaled, move to fresh air and seek medical care. Always consult the safety data sheet for complete emergency procedures.

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

2-chloro-1,3-difluoro-4-nitrobenzene must be disposed of as hazardous waste through licensed waste management companies. The substance cannot be discharged to sewers or the environment due to its aquatic toxicity classification. Disposal must comply with local and EU waste regulations, including proper waste coding and documentation. Incineration at authorized high-temperature facilities is typically the preferred disposal method for halogenated organic compounds.

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

2-chloro-1,3-difluoro-4-nitrobenzene is classified under ADR Class 8 (corrosive substances), Packing Group II, requiring specific transport regulations. Packages must meet UN specification requirements and display proper hazard labels and markings. Transport documents must include the correct shipping name and UN identification number. Only trained personnel and approved carriers should handle transportation of this corrosive chemical.

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

2-chloro-1,3-difluoro-4-nitrobenzene is regulated under EU CLP regulation requiring proper classification, labeling, and safety data sheets. While not currently listed as an SVHC substance, it falls under REACH registration requirements for commercial use. The substance's hazard classification requires compliance with occupational exposure limits and environmental protection measures. Users must ensure proper risk assessments and safety measures are in place.

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

2-chloro-1,3-difluoro-4-nitrobenzene is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound to qualified industrial customers with proper documentation, safety data sheets, and regulatory compliance support. As a professional chemical supplier, OYSI ensures quality standards and reliable supply chains for research institutions and manufacturing companies across Europe requiring this specialized intermediate.

Data Sources

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