1,4-dichloro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-nitrobenzene

C9H3Cl2F6NO3

CAS130841-23-5
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
130841-23-5
EC Number
415-580-4
UN Number
3082
Index Number
609-070-00-2
PubChem CID
17897697

Physical-chemical properties

Molecular Formula
C9H3Cl2F6NO3
Molar Mass
358.02 g/mol
IUPAC Name
1,4-dichloro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-nitrobenzene

Chemical Identifiers

InChI
InChI=1S/C9H3Cl2F6NO3/c10-3-2-6(4(11)1-5(3)18(19)20)21-9(16,17)7(12)8(13,14)15/h1-2,7H
InChI Key
WDTRKHSHZIJORU-UHFFFAOYSA-N

Overview

1,4-dichloro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-nitrobenzene (CAS 130841-23-5) is a halogenated aromatic compound featuring both chlorine substituents and hexafluoropropoxy functionality with nitro group substitution. This specialized organofluorine compound represents a complex benzene derivative incorporating multiple functional groups that contribute to its unique chemical properties. With a molecular formula of C9H3Cl2F6NO3 and molecular weight of 358.02 g/mol, this substance combines the stability of aromatic systems with the distinctive characteristics imparted by fluorinated alkoxy chains, chlorine atoms, and nitro substitution patterns. The compound's structure features two chlorine atoms at the 1,4-positions of the benzene ring, a nitro group at position 5, and a highly fluorinated propoxy substituent at position 2. This substitution pattern creates a molecule with significant electron-withdrawing character due to the combined effects of the nitro, chloro, and fluorinated groups. The hexafluoropropoxy moiety contributes exceptional chemical stability and unique solubility characteristics typical of perfluorinated compounds. From a safety perspective, this substance is classified under multiple hazard categories including Acute Toxicity Category 4, Skin Sensitization Category 1, and both acute and chronic aquatic toxicity. The GHS07 and GHS09 pictograms reflect these health and environmental concerns, requiring appropriate handling precautions and environmental safeguards during industrial use. Industrial applications for this compound typically involve specialized chemical synthesis processes where its unique combination of functional groups provides specific reactivity patterns. Like related halogenated compounds such as 4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate, it may serve as an intermediate in pharmaceutical or agrochemical synthesis. The compound's fluorinated structure also makes it valuable in applications requiring chemical inertness or specific surface properties. OYSI maintains strategic inventory of this specialized chemical to support European industrial customers requiring high-quality halogenated aromatic intermediates.

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 Number3082
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping Name1,4-Dichlor-2-(1,1,2,3,3,3-hexafluorpropoxy)-5-nitrobenzen
Marine PollutantNo

Frequently Asked Questions

What is 1,4-dichloro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-nitrobenzene?

1,4-dichloro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-nitrobenzene is a specialized organofluorine compound with CAS number 130841-23-5. This chemical features a benzene ring substituted with two chlorine atoms, one nitro group, and a hexafluoropropoxy group. With a molecular formula of C9H3Cl2F6NO3 and molecular weight of 358.02 g/mol, it represents a complex halogenated aromatic compound primarily used in specialized chemical applications.

What are the physicochemical properties of 1,4-dichloro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-nitrobenzene?

1,4-dichloro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-nitrobenzene is a dense organic compound with significant halogen content. The presence of multiple fluorine atoms and chlorine substituents typically results in high chemical stability and low volatility. The nitro group contributes to its electron-withdrawing character, while the hexafluoropropoxy group imparts unique solubility characteristics, generally showing poor water solubility but better compatibility with fluorinated solvents.

What is 1,4-dichloro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-nitrobenzene used for?

1,4-dichloro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-nitrobenzene serves as a specialized intermediate in pharmaceutical and agrochemical synthesis. Its unique combination of electron-withdrawing groups and fluorinated substituents makes it valuable for developing compounds requiring specific biological activity or chemical stability. The compound may also find applications in materials science, particularly in the development of fluorinated polymers or specialized coatings requiring chemical resistance.

How to handle 1,4-dichloro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-nitrobenzene safely?

1,4-dichloro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-nitrobenzene requires careful handling due to its Acute Tox. 4 and Skin Sens. 1 classifications. Essential protective equipment includes nitrile gloves, safety goggles, and protective clothing to prevent skin contact. Work in well-ventilated areas or under fume hood extraction. Avoid inhalation and skin contact, as the compound may cause sensitization. Always wash hands thoroughly after handling and ensure proper training before use.

How to store 1,4-dichloro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-nitrobenzene correctly?

1,4-dichloro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-nitrobenzene should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from direct sunlight. Keep away from heat sources, strong oxidizers, and incompatible materials. Store in original packaging with proper labeling including GHS07 and GHS09 pictograms. Ensure storage area has appropriate spill containment measures and restricted access. Regular inspection of containers for integrity is recommended.

What to do in case of contact with 1,4-dichloro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-nitrobenzene?

Immediate action is required following contact with 1,4-dichloro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-nitrobenzene. For skin contact, remove contaminated clothing and wash affected area thoroughly with soap and water for at least 15 minutes. In case of eye contact, flush with clean water for 15 minutes while holding eyelids open. If inhaled, move to fresh air immediately. Seek medical attention if symptoms develop, particularly for skin sensitization reactions. Never induce vomiting if swallowed.

How to dispose of 1,4-dichloro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-nitrobenzene properly?

1,4-dichloro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-nitrobenzene must be disposed of through licensed hazardous waste contractors due to its environmental hazard classification (Aquatic Acute 1, Aquatic Chronic 1). The compound cannot be disposed of in regular waste streams or sewers. High-temperature incineration at specialized facilities is typically required for fluorinated compounds. Maintain detailed waste tracking documentation and follow all local, national, and EU regulations for hazardous waste disposal.

How to transport 1,4-dichloro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-nitrobenzene?

1,4-dichloro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-nitrobenzene is classified as ADR Class 9 (Miscellaneous Dangerous Goods), Packing Group III for transportation. Packages must bear appropriate UN identification numbers and hazard labels. Use approved packaging that meets UN specifications for Class 9 materials. Transport vehicles require appropriate placarding and emergency information. Drivers need ADR certification for dangerous goods transport. Ensure proper documentation including transport documents and safety data sheets accompany shipments.

Is 1,4-dichloro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-nitrobenzene subject to specific regulations?

1,4-dichloro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-nitrobenzene falls under EU REACH regulation requiring registration for commercial use. The compound is classified under CLP regulation with Warning signal word and specific hazard statements. It is not currently listed as an SVHC (Substance of Very High Concern). Users must comply with occupational exposure limits, environmental discharge restrictions, and proper hazard communication requirements including safety data sheet provision and worker training.

Where to buy 1,4-dichloro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-nitrobenzene in Europe?

1,4-dichloro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-nitrobenzene is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound to qualified industrial and research customers with proper handling capabilities. The company ensures full regulatory compliance, proper packaging, and complete documentation including safety data sheets. Contact OYSI directly for availability, technical specifications, and pricing information. Purchases require verification of intended use and appropriate safety measures.

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1,4-dichloro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-nitrobenzene is a dangerous good. We support you with labeling, packaging, and transport documentation.

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Data Sources

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