(2,2-dimethyl-3H-1-benzofuran-7-yl) N-(dibutylamino)sulfanyl-N-methylcarbamate

C20H32N2O3S

CAS55285-14-8
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
55285-14-8
EC Number
259-565-9
UN Number
2992
Index Number
006-084-00-5
PubChem CID
41384

Physical-chemical properties

Molecular Formula
C20H32N2O3S
Molar Mass
380.50 g/mol
IUPAC Name
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-(dibutylamino)sulfanyl-N-methylcarbamate

Chemical Identifiers

InChI
InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3
InChI Key
JLQUFIHWVLZVTJ-UHFFFAOYSA-N

Overview

(2,2-dimethyl-3H-1-benzofuran-7-yl) N-(dibutylamino)sulfanyl-N-methylcarbamate (CAS 55285-14-8) is a complex carbamate compound with high acute toxicity and environmental hazard properties. This specialized carbamate derivative represents an important class of organic compounds featuring a benzofuran core structure combined with sulfanyl and carbamate functional groups. With its molecular formula C20H32N2O3S and molecular weight of 380.5 g/mol, this compound exhibits significant biological activity that requires careful handling and expertise in industrial applications. The presence of the dimethyl-substituted benzofuran ring system, coupled with the dibutylamino sulfanyl group, creates a unique molecular architecture that distinguishes it from simpler aromatic compounds like N-methylaniline. The compound carries serious safety considerations, classified under ADR Class 6.1 as a toxic substance with Acute Toxicity Category 2 and 3 ratings. Its classification includes skin sensitization potential and significant aquatic toxicity, requiring GHS06 and GHS09 pictograms with a "Danger" signal word. These properties necessitate stringent handling protocols, appropriate personal protective equipment, and specialized storage conditions to ensure workplace safety and environmental protection. Primary industrial applications include use as an intermediate in pharmaceutical synthesis, specialty pesticide formulations, and advanced materials research. The compound's unique structural features make it valuable in developing targeted biological agents and specialized chemical intermediates where precise molecular architecture is essential. OYSI maintains strict quality standards and regulatory compliance for this high-hazard specialty chemical, ensuring reliable supply chains for qualified industrial customers across European markets.

Safety & Classification

Danger
Classification:

Acute Tox. 2 *; Acute Tox. 3 *; Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H330

Fatal if inhaled.

H301

Toxic 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

Inhalation

Fatal

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:

Ingestion

Toxic

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 Number2992
ADR Class6.1
Packing GroupIII
Tunnel CodeE
Proper Shipping NameCarbosulfan (ISO)
Marine PollutantNo

Frequently Asked Questions

What is (2,2-dimethyl-3H-1-benzofuran-7-yl) N-(dibutylamino)sulfanyl-N-methylcarbamate?

(2,2-dimethyl-3H-1-benzofuran-7-yl) N-(dibutylamino)sulfanyl-N-methylcarbamate is an organosulfur compound with the molecular formula C20H32N2O3S and CAS number 55285-14-8. This carbamate derivative has a molecular weight of 380.5 g/mol and features a benzofuran ring system combined with carbamate and sulfanyl functional groups. It is classified as a highly toxic substance with acute toxicity properties and environmental hazards, requiring careful handling and storage procedures.

What are the physicochemical properties of (2,2-dimethyl-3H-1-benzofuran-7-yl) N-(dibutylamino)sulfanyl-N-methylcarbamate?

This compound is an organic solid with a molecular weight of 380.5 g/mol and molecular formula C20H32N2O3S. The substance contains multiple functional groups including benzofuran, carbamate, and sulfanyl moieties, which influence its chemical behavior. Specific physical properties such as melting point, boiling point, and solubility characteristics should be confirmed through technical documentation. The compound's complex structure suggests limited water solubility but potential solubility in organic solvents.

What is (2,2-dimethyl-3H-1-benzofuran-7-yl) N-(dibutylamino)sulfanyl-N-methylcarbamate used for?

This compound is primarily used as a research chemical and pharmaceutical intermediate in specialized chemical synthesis applications. Its complex structure makes it valuable for studies involving carbamate chemistry, benzofuran derivatives, and organosulfur compounds. The substance may serve as a building block in medicinal chemistry research or as a reference standard in analytical chemistry. Due to its high toxicity classification, its use is restricted to professional laboratory environments with appropriate safety measures.

How to safely handle (2,2-dimethyl-3H-1-benzofuran-7-yl) N-(dibutylamino)sulfanyl-N-methylcarbamate?

Safe handling requires strict adherence to Acute Tox. 2 and 3 protocols due to the substance's high toxicity. Personnel must wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and respiratory protection in well-ventilated areas or fume hoods. Avoid skin contact and inhalation as the compound is also classified as a skin sensitizer. Work in designated areas with spill containment measures, emergency eyewash stations, and safety showers readily available.

How to properly store (2,2-dimethyl-3H-1-benzofuran-7-yl) N-(dibutylamino)sulfanyl-N-methylcarbamate?

Proper storage requires a cool, dry, well-ventilated area away from incompatible materials and ignition sources. The substance should be kept in tightly sealed, labeled containers in a locked chemical storage facility with restricted access. Due to its acute toxicity classification, it must be segregated from food, feed, and other non-compatible chemicals. Storage areas should have appropriate ventilation, spill containment, and emergency equipment. Regular inventory checks and temperature monitoring are recommended.

What to do in case of contact with (2,2-dimethyl-3H-1-benzofuran-7-yl) N-(dibutylamino)sulfanyl-N-methylcarbamate?

Immediate action is critical due to the compound's acute toxicity classification. For skin contact, remove contaminated clothing and wash affected area thoroughly with soap and water for at least 15 minutes. If inhaled, move to fresh air immediately and seek medical attention. For eye contact, flush with clean water for 15 minutes. In all cases, seek immediate medical attention and provide the safety data sheet to healthcare providers. Do not induce vomiting if ingested.

How to properly dispose of (2,2-dimethyl-3H-1-benzofuran-7-yl) N-(dibutylamino)sulfanyl-N-methylcarbamate?

Disposal must comply with local and national hazardous waste regulations due to the substance's acute toxicity and environmental hazard classifications. The compound requires treatment as hazardous waste and must not be released to drains, soil, or waterways. Contact licensed hazardous waste disposal companies for proper collection and destruction. All containers, even empty ones, should be treated as hazardous waste. Maintain disposal records and certificates as required by local environmental authorities.

How to transport (2,2-dimethyl-3H-1-benzofuran-7-yl) N-(dibutylamino)sulfanyl-N-methylcarbamate?

Transportation is regulated under ADR Class 6.1 (toxic substances), Packing Group III, requiring compliance with dangerous goods regulations. The substance must be packaged in UN-approved containers with appropriate hazard labels including GHS06 and GHS09 pictograms. Shipping documentation must include proper shipping names, hazard classes, and emergency response information. Carriers must be certified for dangerous goods transport, and vehicles require appropriate placarding and emergency equipment according to ADR requirements.

Is (2,2-dimethyl-3H-1-benzofuran-7-yl) N-(dibutylamino)sulfanyl-N-methylcarbamate subject to special regulations?

Yes, this substance is subject to multiple regulatory frameworks including REACH registration requirements for European markets and CLP classification obligations. While not currently listed as an SVHC (Substance of Very High Concern), its acute toxicity and environmental hazard classifications trigger specific labeling, safety data sheet, and handling requirements. Companies must comply with occupational exposure limits, waste management regulations, and transport restrictions. Regular regulatory monitoring is essential as classifications may be updated.

Where to buy (2,2-dimethyl-3H-1-benzofuran-7-yl) N-(dibutylamino)sulfanyl-N-methylcarbamate in Europe?

OYSI serves as a reliable European distributor for this specialized chemical compound, ensuring compliance with REACH and CLP regulations. As a professional chemical supplier, OYSI provides properly classified and documented products with complete safety data sheets and regulatory support. The company specializes in serving research institutions, pharmaceutical companies, and qualified industrial users who require high-purity chemicals for specialized applications. Contact OYSI directly for availability, technical specifications, and regulatory documentation.

Services for (2,2-dimethyl-3H-1-benzofuran-7-yl) N-(dibutylamino)sulfanyl-N-methylcarbamate

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(2,2-dimethyl-3H-1-benzofuran-7-yl) N-(dibutylamino)sulfanyl-N-methylcarbamate 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.