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 a specialized oxazolidinone derivative with distinct chlorinated aromatic functionality and heterocyclic properties. This oxazolidinone compound represents an important class of heterocyclic molecules characterized by its five-membered ring structure containing both nitrogen and oxygen atoms. The molecular formula C12H14ClNO2 reflects its complex architecture, featuring a 2-chlorophenyl substituent attached via a methylene bridge to the oxazolidinone core, along with two methyl groups at the 4-position. With a molecular weight of 239.7 g/mol, this compound exhibits unique chemical properties that make it valuable for specialized industrial applications. The presence of the chlorinated aromatic system enhances the molecule's stability and influences its reactivity profile, while the oxazolidinone ring provides specific electronic and steric characteristics. These structural features distinguish it from related compounds such as triphenyl phosphite, which serves different industrial functions despite both being specialty chemical intermediates. From a safety perspective, this compound is classified under multiple hazard categories including Acute Toxicity Category 4 and aquatic toxicity classifications (Aquatic Acute 1 and Aquatic Chronic 1). The GHS07 and GHS09 pictograms indicate both health and environmental hazards, requiring careful handling protocols and appropriate protective equipment during industrial use. Primary applications include its use as a chemical intermediate in pharmaceutical synthesis, specialty polymer production, and as a building block for advanced materials development. The compound's unique structural features make it particularly valuable in developing molecules with specific biological or materials properties. OYSI provides reliable access to 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one for European industrial customers requiring high-quality specialty chemical intermediates.

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, substituted with a chlorophenylmethyl group. With a molecular weight of 239.7 g/mol, it belongs to the class of substituted oxazolidinones and requires careful handling due to its toxicological properties and environmental hazard classification.

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 influences its polarity and solubility characteristics. The compound contains both hydrophobic aromatic components and polar functional groups, affecting its dissolution behavior in various solvents. Specific physical properties such as melting point, boiling point, and exact solubility data should be obtained from detailed technical specifications.

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 serves as an important intermediate in pharmaceutical and fine chemical synthesis. Oxazolidinone derivatives are commonly utilized in the development of antimicrobial agents and other bioactive compounds. This specific compound may be employed in research applications, drug discovery processes, or as a building block for more complex molecular structures. Its applications are primarily found in specialized chemical manufacturing and pharmaceutical research facilities requiring high-purity intermediates.

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 and Warning signal word. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and appropriate laboratory clothing. Work in well-ventilated areas or under fume hoods to minimize inhalation exposure. Avoid skin and eye contact, and prevent ingestion. Wash hands thoroughly after handling and before eating or drinking. Keep containers tightly closed when not in use and follow established laboratory safety protocols.

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 sealed containers in a cool, dry place away from direct sunlight and heat sources. Maintain storage areas with adequate ventilation and controlled temperature conditions. Keep the substance away from incompatible materials and ensure containers are properly labeled with hazard information. Storage facilities should comply with local chemical storage regulations and include appropriate containment measures. Regular inspection of containers for integrity and proper segregation from other chemicals is 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 following contact with 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one. For skin contact, remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. In case of eye contact, flush immediately with clean water for 15-20 minutes while holding eyelids open. If inhaled, move to fresh air immediately. If ingested, do not induce vomiting and seek medical attention. Always consult the safety data sheet and contact 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 according to local and national hazardous waste regulations due to its toxic and environmental hazard classifications. Contact licensed hazardous waste disposal companies for proper collection and treatment. Do not discharge into sewers, waterways, or soil due to its Aquatic Acute 1 and Aquatic Chronic 1 classifications. Contaminated containers should also be treated as hazardous waste. Maintain proper documentation of disposal activities and follow your organization's waste management procedures.

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. Packages must bear proper shipping names, UN numbers, and hazard labels. Transport vehicles should carry appropriate emergency response information and drivers must have proper training. Ensure packages are secured to prevent damage during transit and comply with quantity limitations for different transport categories.

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

2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one is subject to European REACH regulation requiring registration for manufacture or import above certain tonnages. The substance is classified under CLP regulation with specific hazard classes (Acute Tox. 4, Aquatic Acute 1, Aquatic Chronic 1) and corresponding GHS pictograms (GHS07, GHS09). It is not currently listed as a SVHC (Substance of Very High Concern). Users must comply with occupational health and safety regulations, environmental protection laws, and proper chemical inventory reporting requirements in their respective jurisdictions.

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 customers including research institutions, pharmaceutical companies, and chemical manufacturers. As a regulated chemical substance, procurement requires proper documentation including intended use declarations and compliance with applicable regulations. Contact OYSI directly for availability, technical specifications, safety data sheets, and regulatory support to ensure compliant purchasing and handling of this specialized chemical intermediate.

Data Sources

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