N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline

C10H13Cl2FN2O2S2

CAS731-27-1
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
731-27-1
EC Number
211-986-9
UN Number
2588
Index Number
613-116-00-7
PubChem CID
12898

Physical-chemical properties

Molecular Formula
C10H13Cl2FN2O2S2
Molar Mass
347.30 g/mol
IUPAC Name
N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline

Chemical Identifiers

InChI
InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3
InChI Key
HYVWIQDYBVKITD-UHFFFAOYSA-N

Overview

N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline (CAS 731-27-1) is a halogenated organosulfur compound with antimicrobial and biocidal properties. This specialized chemical compound, with the molecular formula C10H13Cl2FN2O2S2 and a molecular weight of 347.3 g/mol, represents an important class of halogenated aromatic compounds used in various industrial applications. The molecule features a complex structure combining a methylaniline backbone with dichloro-fluoro-methyl and dimethylsulfamoyl functional groups, which contribute to its unique chemical and biological properties. From a safety perspective, this compound requires careful handling due to its classification under multiple hazard categories. It is classified as STOT SE 3 (specific target organ toxicity), Skin Irritant Category 2, Eye Irritant Category 2, and Skin Sensitizer Category 1, with the warning signal word and GHS07 pictogram indicating moderate hazard levels. Additionally, its Aquatic Acute 1 classification and GHS09 pictogram highlight significant environmental concerns, requiring proper containment and disposal protocols. The ADR Class 6.1 designation further emphasizes the need for specialized transport and storage conditions. The compound's structural characteristics make it valuable in industrial applications where antimicrobial activity is essential. Primary applications include use as a biocide in water treatment systems, as a preservative in industrial formulations, and as an intermediate in the synthesis of specialized pharmaceutical compounds. Unlike simpler compounds such as chloromercury, this molecule offers enhanced stability and selectivity in its antimicrobial action. OYSI provides this technical-grade chemical compound to qualified industrial customers across Europe, supporting applications in water treatment, pharmaceutical synthesis, and specialty chemical manufacturing sectors.

Safety & Classification

Warning
Classification:

STOT SE 3; Skin Irrit. 2; Eye Irrit. 2; Skin Sens. 1; Aquatic Acute 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H335

May cause respiratory irritation.

H315

Causes skin irritation.

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

Irritant

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 Number2588
ADR Class6.1
Packing GroupII
Tunnel CodeD/E
Proper Shipping NameTolylfluanid (ISO)
Marine PollutantNo

Frequently Asked Questions

What is N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline?

N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline is an organosulfur compound with the molecular formula C10H13Cl2FN2O2S2 and CAS number 731-27-1. This chemical substance has a molecular weight of 347.3 g/mol and contains multiple functional groups including dichloro-fluoro-methyl, sulfanyl, dimethylsulfamoyl, and methylaniline moieties. It is classified as hazardous with specific safety considerations required for handling and storage.

What are the physicochemical properties of N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline?

N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline is a complex organic compound with a molecular weight of 347.3 g/mol. The presence of chlorine, fluorine, and sulfur atoms in its structure influences its chemical behavior and stability. As an organosulfur compound containing halogen substituents, it likely exhibits moderate to low water solubility and specific reactivity patterns typical of halogenated aromatic compounds with sulfur-containing functional groups.

What is N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline used for?

N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline serves as a chemical intermediate in pharmaceutical and agrochemical synthesis. Its complex structure with multiple functional groups makes it valuable for specialized chemical reactions and as a building block in organic synthesis. The compound is typically used in professional industrial applications where its specific chemical properties are required for manufacturing processes or research and development activities.

How to handle N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline safely?

N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline requires careful handling due to its classification as skin and eye irritant, skin sensitizer, and specific target organ toxicant. Use appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Ensure adequate ventilation and avoid skin contact, eye contact, and inhalation. Work in a well-ventilated area or use local exhaust ventilation to minimize exposure risks.

How to store N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline correctly?

N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline should be stored in a cool, dry, well-ventilated area away from incompatible materials. Keep containers tightly closed and protected from moisture and heat sources. Store in original labeled containers in a designated chemical storage area with appropriate secondary containment. Ensure storage area has proper ventilation and is accessible only to trained personnel familiar with the material's hazards and handling procedures.

What to do in case of contact with N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline?

In case of contact with N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline, immediate action is required. For skin contact, remove contaminated clothing and rinse affected area with plenty of water for at least 15 minutes. For eye contact, flush immediately with clean water for 15-20 minutes. If inhaled, move to fresh air immediately. Remove from exposure and seek medical attention if symptoms develop. Always consult the safety data sheet for complete first aid procedures.

How to dispose of N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline appropriately?

N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline must be disposed of as hazardous waste in accordance with local and national regulations. Contact a licensed waste disposal company experienced in handling chemical wastes. Do not discharge into drains, soil, or water bodies due to its aquatic toxicity classification. Dispose of contaminated containers, absorbent materials, and protective equipment following the same hazardous waste procedures as the chemical itself.

How to transport N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline?

N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline is classified under ADR as Class 6.1 (toxic substances), Packing Group II. This classification indicates moderate toxicity requiring specific packaging, labeling, and documentation requirements for road transport. Shipments must comply with ADR regulations including proper packaging specifications, hazard labels, transport documents, and vehicle placarding. Only trained personnel should handle the transportation of this hazardous material.

Is N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline subject to specific regulations?

N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline is subject to REACH and CLP regulations in Europe. It is not classified as a Substance of Very High Concern (SVHC) but must comply with standard chemical safety requirements including proper classification, labeling, and safety data sheet provisions. Users must follow occupational exposure limits and environmental protection measures. Registration requirements may apply depending on quantities manufactured or imported within the EU.

Where to buy N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline in Europe?

N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline is available through OYSI, a specialized European distributor of chemical products. OYSI provides professional-grade chemicals to industrial customers across Europe with proper documentation and regulatory compliance. As a specialized chemical intermediate, it is typically available to qualified industrial users and research institutions. Contact OYSI directly for availability, technical specifications, and regulatory documentation required for your specific application.

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Data Sources

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