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 functionality and significant antimicrobial properties. This specialized chemical compound, identified by EC number 214-118-7, features a complex molecular structure (C9H11Cl2FN2O2S2) combining multiple halogen atoms with sulfur-containing functional groups. With a molecular weight of 333.2 g/mol, this substance represents an important class of organosulfur chemicals utilized in various industrial applications where antimicrobial or preservative properties are required. The compound exhibits notable safety considerations, classified under ADR transport class 9 with acute toxicity category 4, eye irritation potential, and skin sensitization properties. The presence of GHS07 and GHS09 pictograms indicates both health hazards and environmental concerns, particularly regarding aquatic organisms where it demonstrates acute aquatic toxicity category 1. Users must implement appropriate handling protocols including personal protective equipment and environmental containment measures. The dichloro(fluoro)methyl sulfanyl group provides enhanced stability and biological activity compared to related compounds in this chemical family. This structural arrangement differs significantly from simpler organosulfur compounds, offering unique reactivity profiles that make it valuable in specialized applications. Primary industrial applications include antimicrobial formulations, specialized preservative systems, and intermediate synthesis for pharmaceutical or agrochemical development. The compound's multi-halogenated structure provides enhanced efficacy in biological control applications, though its environmental profile requires careful consideration during use and disposal. While structurally distinct from compounds like triphenyl phosphite, both serve important roles in industrial preservation and stabilization applications, though through different chemical mechanisms. OYSI maintains reliable supply chains for this specialized chemical, ensuring consistent availability for qualified industrial customers throughout Europe.

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 the molecular formula C9H11Cl2FN2O2S2 and CAS number 1085-98-9. This chemical substance has a molecular weight of 333.2 g/mol and contains chlorine, fluorine, nitrogen, oxygen, and sulfur atoms in its structure. It is classified as a hazardous substance requiring careful handling due to its toxicity and environmental impact properties.

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

N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)aniline is a complex organic molecule with a molecular weight of 333.2 g/mol. The compound contains multiple functional groups including halogenated methyl, sulfanyl, and dimethylsulfamoyl moieties attached to an aniline backbone. Specific physical properties such as melting point, boiling point, and solubility would need to be determined experimentally or referenced from specialized chemical databases for precise handling requirements.

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

N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)aniline is typically used as an intermediate in pharmaceutical synthesis and specialized chemical manufacturing processes. Its complex structure containing halogen and sulfur functionalities makes it valuable for creating more complex molecular architectures. The compound may also serve as a building block in agrochemical development or as a research chemical in academic and industrial laboratories for synthetic methodology studies.

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

N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)aniline requires careful handling due to its Acute Tox. 4, Eye Irrit. 2, and Skin Sens. 1 classifications. Essential PPE includes chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume hoods to prevent inhalation. Avoid skin and eye contact, and implement proper hygiene measures including thorough handwashing after handling.

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

N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)aniline should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from incompatible materials. Keep containers protected from light and moisture to prevent degradation. Store away from heat sources, ignition sources, and incompatible chemicals. Ensure proper labeling with hazard warnings and maintain appropriate temperature conditions as specified in the safety data sheet.

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

N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)aniline exposure requires immediate action. For skin contact, remove contaminated clothing and wash thoroughly with soap and water for at least 15 minutes. In case of eye contact, flush immediately with clean water for 15-20 minutes and remove contact lenses if present. If inhaled, move to fresh air immediately. Seek medical attention promptly, especially given the compound's acute toxicity and sensitization potential.

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

N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)aniline must be disposed of as hazardous waste due to its toxicity and environmental classification (Aquatic Acute 1). Contact licensed waste disposal companies specializing in chemical waste treatment. Never dispose of in regular trash, down drains, or into the environment. Follow local and national regulations for hazardous waste disposal, including proper labeling and documentation requirements for waste tracking.

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

N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)aniline is classified under ADR Class 9 (Miscellaneous dangerous substances), Packing Group III. Transportation requires appropriate packaging meeting UN specifications and proper hazard labeling with GHS07 and GHS09 pictograms. Shipping documents must include correct technical names, UN numbers, and hazard classifications. Only trained personnel should handle transportation, following ADR regulations for miscellaneous dangerous goods.

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

N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)aniline is subject to REACH regulation for registration and authorization within the EU, though it is not classified as an SVHC (Substance of Very High Concern). The compound must comply with CLP regulation for classification and labeling requirements, displaying appropriate GHS07 and GHS09 pictograms with 'Warning' signal word. Additional sector-specific regulations may apply depending on intended use.

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 specialized European distributor of chemical products. OYSI provides reliable supply chain solutions for industrial and research customers across Europe, ensuring compliance with local regulations and proper handling requirements. Contact OYSI directly for availability, technical specifications, packaging options, and regulatory documentation to meet your specific application needs.

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Data Sources

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