6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide

C12H13NO2S

CAS5234-68-4
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
5234-68-4
EC Number
226-031-1
UN Number
3077
Index Number
616-226-00-3
PubChem CID
21307

Physical-chemical properties

Molecular Formula
C12H13NO2S
Molar Mass
235.30 g/mol
IUPAC Name
6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide

Chemical Identifiers

InChI
InChI=1S/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)
InChI Key
GYSSRZJIHXQEHQ-UHFFFAOYSA-N

Overview

6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide (CAS 5234-68-4) is an organic heterocyclic compound featuring oxathiine ring structure with carboxamide functionality and phenyl substitution. This specialized chemical compound belongs to the oxathiine family, characterized by its unique six-membered ring containing both oxygen and sulfur heteroatoms. With a molecular formula of C12H13NO2S and molecular weight of 235.3 g/mol, this substance exhibits distinctive structural features that make it valuable in various industrial applications. The compound's structure incorporates a methyl group at position 6, a phenyl-substituted carboxamide group, and a partially saturated oxathiine core, contributing to its specific chemical properties and reactivity profile. From a safety perspective, 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide requires careful handling due to its classification as STOT RE 2 (specific target organ toxicity with repeated exposure), Skin Sens. 1 (skin sensitization), and aquatic toxicity categories Aquatic Acute 1 and Aquatic Chronic 1. The compound displays GHS pictograms GHS08, GHS07, and GHS09, indicating health hazards and environmental concerns. Transport classification under ADR Class 9 designates it as a miscellaneous dangerous substance requiring appropriate shipping protocols. Industrial applications typically include use as an intermediate in pharmaceutical synthesis and specialty chemical manufacturing. The compound shares structural similarities with other heterocyclic compounds like propan-2-yl N-(2-methoxy-5-phenylanilino)carbamate, which also features aromatic amine functionality in pharmaceutical applications. Additionally, like 6-amino-N-methylnaphthalene-2-sulfonamide, it may find utility in chemical research and development processes. OYSI maintains reliable supply chains for 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide, ensuring consistent availability for European industrial customers requiring this specialized chemical intermediate.

Safety & Classification

Warning
Classification:

STOT RE 2; Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H373

May cause damage to organs through prolonged or repeated exposure.

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

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:

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 NameCarboxin (ISO)
Marine PollutantNo

Frequently Asked Questions

What is 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide?

6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide is an organic chemical compound with the molecular formula C12H13NO2S and a molecular weight of 235.3 g/mol. This heterocyclic compound contains both sulfur and oxygen atoms in its ring structure, along with a carboxamide functional group. It is classified under CAS number 5234-68-4 and presents specific hazards including skin sensitization and potential organ toxicity with repeated exposure.

What are the physicochemical properties of 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide?

6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide is a solid compound at room temperature with a molecular weight of 235.3 g/mol. The compound features a heterocyclic structure containing sulfur and oxygen atoms within a six-membered ring, with a phenyl group attached to the carboxamide nitrogen. Its specific physical properties such as melting point, solubility, and appearance depend on the grade and purity of the material supplied.

What is 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide used for?

6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide is primarily used as an intermediate in pharmaceutical and agrochemical synthesis. Its unique heterocyclic structure containing both sulfur and oxygen makes it valuable for developing bioactive compounds. The compound serves as a building block in organic synthesis for creating more complex molecules with potential therapeutic or agricultural applications, particularly in research and development laboratories.

How to handle 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide safely?

6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide requires careful handling due to its skin sensitization properties and potential for repeated dose organ toxicity. Use appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Ensure adequate ventilation in the work area and avoid skin contact and inhalation. Handle only in well-ventilated areas or under fume hoods to prevent exposure to vapors or dust.

How to store 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide correctly?

6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide should be stored in a cool, dry, well-ventilated area away from incompatible materials. Keep containers tightly closed and protected from light and moisture. Store away from heat sources and ignition sources. The storage area should be equipped with appropriate containment measures and access should be restricted to trained personnel. Ensure proper labeling and maintain an inventory of stored quantities.

What to do in case of contact with 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide?

Skin contact with 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide requires immediate removal of contaminated clothing and thorough washing with soap and water. For eye contact, flush immediately with clean water for at least 15 minutes. If inhaled, move the person to fresh air and seek medical attention if symptoms persist. Due to its skin sensitization properties, seek medical advice promptly after any exposure and inform healthcare providers about the specific chemical involved.

How to dispose of 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide appropriately?

6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide must be disposed of as hazardous waste through licensed waste disposal contractors. Due to its aquatic toxicity classification, prevent release to water systems or soil. Contact certified hazardous waste disposal companies for proper treatment and disposal. Follow local and national regulations for hazardous waste management. Containers should be properly cleaned or disposed of according to regulatory requirements to prevent environmental contamination.

How to transport 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide?

6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide is classified as ADR Class 9 (Miscellaneous Dangerous Substances), Packing Group III for transport purposes. This classification indicates it presents a relatively lower degree of danger during transport but still requires proper packaging and documentation. Use appropriate UN-specification packaging and ensure proper labeling with hazard identification numbers. Transport documentation must include the proper shipping name and classification details according to dangerous goods regulations.

Is 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide subject to specific regulations?

6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide is subject to REACH registration requirements in Europe and must be classified according to CLP regulation. The compound carries GHS pictograms GHS07, GHS08, and GHS09 with a 'Warning' signal word. It is not currently listed as a Substance of Very High Concern (SVHC). Users must comply with safety data sheet requirements and ensure proper risk assessment and management measures are implemented according to European chemical legislation.

Where to buy 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide in Europe?

6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound to research institutions, pharmaceutical companies, and chemical manufacturers across Europe. As a professional chemical distributor, OYSI ensures proper documentation, safety data sheets, and regulatory compliance for all supplied materials. Contact OYSI directly for availability, specifications, and technical support for your specific application requirements.

Data Sources

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