2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one

C12H14ClNO2

CAS81777-89-1
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
81777-89-1
UN Number
3082
Index Number
613-340-00-5
PubChem CID
54778

Physical-chemical properties

Molecular Formula
C12H14ClNO2
Molar Mass
239.70 g/mol
IUPAC Name
2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one

Chemical Identifiers

InChI
InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3
InChI Key
KIEDNEWSYUYDSN-UHFFFAOYSA-N

Overview

2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one (CAS 81777-89-1) is an oxazolidinone derivative with pronounced antimicrobial properties and environmental persistence characteristics. This specialized organic compound represents a significant member of the oxazolidinone family, characterized by its distinctive five-membered heterocyclic ring structure containing both nitrogen and oxygen atoms. The molecular formula C12H14ClNO2 reflects its complex architecture, incorporating a chlorinated phenyl group attached to a dimethyl-substituted oxazolidinone core, resulting in a molecular weight of 239.7 g/mol. The compound exhibits notable safety considerations, classified under GHS pictograms GHS07 and GHS09, indicating both health hazards and environmental concerns. Its acute toxicity profile (Acute Tox. 4) requires careful handling protocols, while its aquatic toxicity classifications (Aquatic Acute 1 and Aquatic Chronic 1) demonstrate significant environmental impact potential. Transportation falls under ADR Class 9, designating it as a miscellaneous dangerous substance requiring appropriate shipping procedures. From an industrial perspective, this oxazolidinone derivative finds applications in pharmaceutical intermediates synthesis, specialized chemical manufacturing, and research applications where its unique structural properties provide distinct advantages. Its chemical stability and specific reactivity patterns make it particularly valuable in synthetic organic chemistry processes. The compound shares certain structural characteristics with other specialized chemicals like triphenyl phosphite, though each maintains distinct application profiles. Manufacturing facilities utilizing this compound often implement it alongside related materials in multi-step synthetic processes, where its chlorophenyl substituent provides specific reactivity patterns essential for target molecule construction. OYSI maintains reliable supply chains for 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one, supporting European industrial customers with comprehensive technical documentation and regulatory compliance support.

Safety & Classification

Warning
Classification:

Acute Tox. 4; Acute Tox. 4; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H332

Harmful if inhaled.

H302

Harmful if swallowed.

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

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:

Ingestion

Harmful

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 Number3082
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NameClomazon (ISO), technisch, flüssig
Marine PollutantNo

Frequently Asked Questions

What is 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one?

2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one is an organic chemical compound with the molecular formula C12H14ClNO2 and CAS number 81777-89-1. This oxazolidinone derivative features a five-membered heterocyclic ring containing nitrogen and oxygen atoms, substituted with a chlorophenylmethyl group. With a molecular weight of 239.7 g/mol, it belongs to the class of synthetic organic compounds used in various industrial applications requiring specific chemical properties.

What are the physicochemical properties of 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one?

2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one is a solid organic compound at room temperature with a molecular weight of 239.7 g/mol. The presence of the chlorophenyl group and oxazolidinone ring structure influences its polarity and solubility characteristics. The compound contains both hydrophobic aromatic components and polar functional groups, affecting its interaction with various solvents. Specific physical properties such as melting point, boiling point, and exact solubility data should be consulted from detailed technical documentation.

What is 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one used for?

2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one is primarily used as an intermediate in pharmaceutical synthesis and fine chemical manufacturing. Oxazolidinone derivatives are valuable building blocks in medicinal chemistry and advanced organic synthesis. The compound may serve in research applications, custom synthesis projects, and as a precursor for developing more complex molecules. Its specific structural features make it suitable for applications requiring precise chemical modifications in pharmaceutical and specialty chemical industries.

How to handle 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one safely?

2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one requires careful handling due to its Acute Tox. 4 classification. Always wear appropriate personal protective equipment including safety goggles, chemical-resistant gloves, and lab coats. Work in well-ventilated areas or under fume hoods to prevent inhalation. Avoid skin and eye contact, and never eat, drink, or smoke while handling. Wash hands thoroughly after use and ensure proper training on chemical safety procedures before handling this substance.

How to store 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one correctly?

2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one 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 degradation. Store away from oxidizing agents and strong bases or acids. Maintain proper labeling and ensure storage areas comply with local chemical storage regulations. Regular inventory checks and proper segregation from incompatible chemicals are essential for safe storage.

What to do in case of contact with 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one?

Immediate action is required if contact occurs with 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one. For skin contact, remove contaminated clothing and wash affected area with plenty of water for at least 15 minutes. If eye contact occurs, flush immediately with clean water for 15 minutes while holding eyelids open. If inhaled, move to fresh air immediately. If ingested, do not induce vomiting and seek medical attention. Always consult emergency services or poison control if symptoms develop.

How to dispose of 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one appropriately?

2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one must be disposed of through authorized hazardous waste disposal services due to its toxicity and environmental hazard classification (Aquatic Acute 1, Aquatic Chronic 1). Never dispose of in regular waste, sewers, or water systems. Contact licensed waste management companies for proper collection and treatment. Ensure containers are properly labeled and segregated according to local regulations. Maintain disposal records as required by environmental legislation and follow all applicable waste management protocols.

How to transport 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one?

2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III for transport purposes. This classification requires appropriate packaging, labeling, and documentation according to ADR regulations. Vehicles must carry proper placards and emergency information. Drivers need ADR certification for transporting dangerous goods. Ensure packages are properly sealed, labeled with UN numbers, and accompanied by transport documents. Follow all international and national regulations for hazardous material transportation.

Is 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one subject to special regulations?

2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one is subject to REACH regulation requiring registration for manufacturing or importing above one tonne annually in the EU. The compound is classified under CLP regulation with specific hazard classifications (Acute Tox. 4, Aquatic hazards) requiring appropriate labeling and safety data sheets. It is not currently listed as an SVHC substance. Companies must comply with notification requirements, maintain exposure scenarios, and follow risk management measures as outlined in relevant safety assessments.

Where to buy 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one in Europe?

2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one is available through OYSI, a specialized European distributor of technical chemicals and pharmaceutical intermediates. OYSI provides this compound to qualified industrial customers, research institutions, and pharmaceutical companies across Europe. As a technical specialty chemical, purchase typically requires demonstration of appropriate handling capabilities and intended use documentation. Contact OYSI directly for availability, technical specifications, and regulatory compliance documentation specific to your application requirements.

Data Sources

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