N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline
C10H13Cl2FN2O2S2
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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 complex aromatic compound, also identified by EC number 211-986-9, features a unique molecular structure containing both sulfur-based functional groups and multiple halogen substituents. With a molecular formula of C10H13Cl2FN2O2S2 and molecular weight of 347.3 g/mol, this substance belongs to the class of substituted anilines modified with sulfamoyl and fluorodichloromethylsulfanyl groups. The presence of chlorine, fluorine, and sulfur atoms in its structure contributes to its distinctive chemical reactivity and biological activity profile. From a safety perspective, this compound requires careful handling due to its classification under multiple hazard categories. It presents moderate health risks including skin and eye irritation (Skin Irrit. 2, Eye Irrit. 2), skin sensitization potential (Skin Sens. 1), and specific target organ toxicity following single exposure (STOT SE 3). Environmental considerations are particularly important given its acute aquatic toxicity classification (Aquatic Acute 1), requiring appropriate containment measures during use and disposal. The substance falls under ADR transport class 6.1, indicating its toxic nature, and displays GHS07 and GHS09 pictograms with a "Warning" signal word. Industrial applications typically focus on specialized biocidal formulations and antimicrobial treatments, where its halogenated structure provides effective pathogen control. Unlike simpler compounds such as chloromercury, this substance offers enhanced selectivity and reduced environmental persistence in certain applications. It also finds use in specialized chemical synthesis processes and as an intermediate in pharmaceutical research. OYSI maintains reliable supply chains for this specialized chemical compound, ensuring consistent availability for European industrial customers.
Safety & Classification
STOT SE 3; Skin Irrit. 2; Eye Irrit. 2; Skin Sens. 1; Aquatic Acute 1
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
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
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
Measures if substance contacts the skin
Eye Contact
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 Number | 2588 |
| ADR Class | 6.1 |
| Packing Group | II |
| Tunnel Code | D/E |
| Proper Shipping Name | Tolylfluanid (ISO) |
| Marine Pollutant | No |
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 dichlorofluoromethyl, sulfanyl, and dimethylsulfamoyl moieties attached to a methylaniline backbone. It is classified as a hazardous substance requiring proper handling and safety measures.
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 molecule contains halogen atoms (chlorine and fluorine) along with sulfur and nitrogen heteroatoms, which influence its physical properties. As an aromatic compound with multiple polar functional groups, it likely exhibits limited water solubility but good solubility in organic solvents. Specific physical properties such as melting point, boiling point, and density would require experimental determination.
What is N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline used for?
N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline is primarily used as a chemical intermediate in pharmaceutical and agrochemical synthesis. Its complex structure containing multiple reactive functional groups makes it valuable for organic synthesis applications. The compound may serve as a building block for developing specialized chemical products or as a research chemical in laboratory settings. Its specific applications depend on the target molecules being synthesized and the required chemical transformations.
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 a skin and eye irritant, skin sensitizer, and specific target organ toxicant. Always wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume hoods to avoid inhalation. Prevent skin and eye contact, and avoid generating dust or vapors. Wash hands thoroughly after handling and before eating or drinking.
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 tightly closed containers in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Keep containers sealed when not in use to prevent contamination and moisture absorption. Store away from oxidizing agents and strong bases due to potential chemical incompatibilities. Maintain proper labeling and ensure storage areas are accessible only to trained personnel. Follow local regulations for hazardous chemical storage requirements.
What to do in case of contact with N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline?
In case of skin contact with N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline, immediately remove contaminated clothing and wash the affected area with plenty of soap and water for at least 15 minutes. For eye contact, flush immediately with clean water for 15-20 minutes while holding eyelids open. If inhaled, move to fresh air immediately. Remove from exposure and ensure the person can breathe freely. Seek immediate medical attention in all cases of exposure, especially if irritation persists or symptoms develop.
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 through licensed hazardous waste disposal facilities due to its classification as a dangerous substance. Never dispose of this chemical in regular waste streams or pour down drains. Contact certified waste management companies specializing in chemical disposal. Ensure proper waste classification and documentation according to local and European waste regulations. Small laboratory quantities may require special collection procedures. Always consult safety data sheets and local environmental authorities for specific disposal requirements.
How to transport N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline?
N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline is classified as ADR Class 6.1 (toxic substances), Packing Group II, indicating it requires specific transport regulations for dangerous goods. Shipments must use approved packaging, proper labeling with toxic substance markings, and appropriate transport documents. Only certified carriers trained in hazardous materials transport should handle shipments. Vehicles must carry emergency equipment and follow prescribed routes. Ensure compliance with international transport regulations including ADR for road transport within Europe.
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 European REACH regulation requiring registration for manufacturing or importing quantities above specified thresholds. The substance is classified under CLP regulation with hazard classes including skin irritation, eye irritation, skin sensitization, and aquatic toxicity. It is not currently listed as a Substance of Very High Concern (SVHC). Companies handling this chemical must ensure proper classification, labeling, and safety data sheet provision according to CLP requirements.
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 technical chemicals serving industrial and research customers across Europe. OYSI provides this compound with proper documentation, safety data sheets, and regulatory compliance support. As a professional chemical distributor, OYSI ensures quality standards and reliable supply chains for laboratory and industrial applications. Contact OYSI directly for availability, packaging options, and technical support for your specific requirements.
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N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline is a dangerous good. We support you with labeling, packaging, and transport documentation.
Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.