N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)aniline

C9H11Cl2FN2O2S2

CAS1085-98-9
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
1085-98-9
EC Number
214-118-7
UN Number
3077
Index Number
616-006-00-7
PubChem CID
14145

Physical-chemical properties

Molecular Formula
C9H11Cl2FN2O2S2
Molar Mass
333.20 g/mol
IUPAC Name
N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)aniline

Chemical Identifiers

InChI
InChI=1S/C9H11Cl2FN2O2S2/c1-13(2)18(15,16)14(17-9(10,11)12)8-6-4-3-5-7-8/h3-7H,1-2H3
InChI Key
WURGXGVFSMYFCG-UHFFFAOYSA-N

Overview

N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)aniline (CAS 1085-98-9) is a halogenated organosulfur compound with sulfamoyl and sulfanyl functional groups featuring significant biological activity properties. This specialized chemical compound, also identified by EC number 214-118-7, belongs to the family of substituted anilines with complex organosulfur functionalities. With a molecular formula of C9H11Cl2FN2O2S2 and molecular weight of 333.2 g/mol, this substance exhibits unique chemical properties due to its combination of halogen atoms (chlorine and fluorine), sulfur-containing groups, and aromatic aniline backbone. The presence of both sulfamoyl and sulfanyl functional groups in the molecule provides distinct reactivity patterns that make it valuable for specific industrial applications. From a safety perspective, this compound requires careful handling as it is classified under multiple hazard categories including Acute Toxicity Category 4, Eye Irritation Category 2, Skin Sensitization Category 1, and Aquatic Acute toxicity Category 1. The Warning signal word and associated GHS07 and GHS09 pictograms indicate potential health and environmental hazards. Its classification under ADR Class 9 (miscellaneous dangerous substances) necessitates proper transportation protocols and storage conditions. The compound finds primary applications in pharmaceutical intermediate synthesis, where its unique structural features enable the development of bioactive molecules. It also serves as a specialized reagent in organic synthesis for creating complex organosulfur compounds and as a building block in agrochemical formulations. Unlike simpler compounds such as triphenyl phosphite, this substance offers more targeted reactivity for specialized synthetic pathways. OYSI provides this technical-grade chemical compound to qualified industrial customers across Europe with comprehensive documentation and regulatory compliance support.

Safety & Classification

Warning
Classification:

Acute Tox. 4; Eye Irrit. 2; Skin Sens. 1; Aquatic Acute 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H332

Harmful if inhaled.

H319

Causes serious eye irritation.

H317

May cause an allergic skin reaction.

H400

Very toxic to aquatic life.

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

Harmful

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

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:

Eye Contact

Irritant

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:

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 NameDichlofluanid (ISO)
Marine PollutantNo

Frequently Asked Questions

What is N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)aniline?

N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)aniline is an organosulfur compound with CAS number 1085-98-9. This chemical substance has the molecular formula C9H11Cl2FN2O2S2 and a molecular weight of 333.2 g/mol. It belongs to the class of aniline derivatives containing both halogenated and sulfur-containing functional groups, making it a complex specialty chemical used in various industrial applications.

What are the physicochemical properties of N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)aniline?

N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)aniline is a solid compound at room temperature with a molecular weight of 333.2 g/mol. The presence of chlorine, fluorine, and sulfur atoms in its structure influences its polarity and solubility characteristics. Its complex molecular structure containing halogenated groups and sulfur functionalities affects its physical properties including melting point, boiling point, and chemical stability under various conditions.

What is N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)aniline used for?

N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)aniline is primarily used as an intermediate in pharmaceutical and agrochemical synthesis. Its unique halogenated structure makes it valuable for the development of specialized compounds in research and industrial applications. The compound serves as a building block in organic synthesis processes where its specific functional groups are required for creating more complex molecular structures.

How to handle N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)aniline safely?

Safe handling of N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)aniline requires appropriate personal protective equipment due to its classification as Acute Tox. 4, Eye Irrit. 2, and Skin Sens. 1. Wear chemical-resistant gloves, safety goggles, and protective clothing. Ensure adequate ventilation and avoid skin contact or inhalation. Handle in well-ventilated areas or under fume hoods to prevent exposure to dust or vapors.

How to store N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)aniline correctly?

N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)aniline should be stored in a cool, dry, well-ventilated area away from incompatible materials. Keep containers tightly closed and protected from moisture and light. Store separately from strong oxidizing agents and bases due to potential chemical incompatibilities. Maintain storage temperature according to manufacturer specifications and ensure proper labeling with hazard warnings as required by GHS classification.

What to do in case of contact with N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)aniline?

In case of skin contact with N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)aniline, immediately wash the affected area with plenty of water and soap for at least 15 minutes. For eye contact, rinse immediately with clean water for 15-20 minutes and seek medical attention. If inhaled, move to fresh air immediately. Remove contaminated clothing and wash before reuse. Seek medical attention if irritation persists or if sensitization symptoms develop.

How to dispose of N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)aniline properly?

Disposal of N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)aniline must comply with local and national hazardous waste regulations due to its environmental hazard classification (Aquatic Acute 1). Contact licensed waste disposal companies for proper treatment and disposal. Do not discharge to sewers, waterways, or soil. Collect waste in appropriate containers and label according to waste classification requirements. Follow all applicable environmental protection guidelines.

How to transport N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)aniline?

N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)aniline is classified as ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transportation purposes. This classification requires appropriate packaging, labeling, and documentation during transport. Packages must display proper shipping names, hazard labels, and orientation arrows where applicable. Transport vehicles must comply with ADR regulations including proper ventilation and emergency equipment requirements.

Is N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)aniline subject to specific regulations?

N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)aniline is subject to REACH regulation for chemical registration and evaluation in the European Union. It must comply with CLP regulation for classification, labeling, and packaging requirements. The substance is not currently listed as an SVHC (Substance of Very High Concern). Users must follow safety data sheet requirements and maintain appropriate exposure controls according to occupational health and safety regulations.

Where to buy N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)aniline in Europe?

N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)aniline is available through OYSI, a leading European distributor of specialty chemicals. OYSI provides reliable supply chains across Europe with proper documentation, safety data sheets, and regulatory compliance support. As an established chemical distributor, OYSI ensures quality products meeting European standards and provides technical support for safe handling and application guidance to customers throughout the European market.

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Data Sources

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