2-isocyanatoethylbenzene

C9H9NO

CAS1943-82-4
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS05 Gefahrensymbol: Ätzend – Ätzwirkung
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
1943-82-4
EC Number
413-080-0
UN Number
2922
Index Number
615-024-00-2
PubChem CID
160602

Physical-chemical properties

Molecular Formula
C9H9NO
Molar Mass
147.17 g/mol
IUPAC Name
2-isocyanatoethylbenzene

Chemical Identifiers

InChI
InChI=1S/C9H9NO/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2
InChI Key
HACRKYQRZABURO-UHFFFAOYSA-N

Overview

2-isocyanatoethylbenzene (CAS 1943-82-4) is an aromatic isocyanate compound featuring a benzene ring with an ethyl isocyanate functional group. This specialized aromatic isocyanate serves as an important intermediate in organic synthesis and polymer chemistry applications. With the molecular formula C9H9NO and a molecular weight of 147.17 g/mol, 2-isocyanatoethylbenzene combines the reactivity of isocyanate functionality with the stability of an aromatic system. The compound's structure consists of a phenyl ring connected to a two-carbon chain terminating in the highly reactive isocyanate group (-NCO), which makes it valuable for various chemical transformations and polymerization reactions. The compound presents significant safety considerations due to its classification as Acute Tox. 3 and 4, with corrosive properties (Skin Corr. 1A) and sensitization potential for both respiratory (Resp. Sens. 1) and skin contact (Skin Sens. 1). The GHS pictogrammes GHS06, GHS05, GHS08, and GHS09 indicate multiple hazards including toxicity, corrosivity, health hazards, and environmental concerns. Its ADR classification as Class 8 reflects its corrosive nature during transport. Like other reactive intermediates such as pentanedial, proper handling procedures and protective equipment are essential when working with this material. Industrial applications of 2-isocyanatoethylbenzene include its use as a building block in specialty polymer synthesis, particularly for creating polyurethanes with specific aromatic characteristics. It also serves as an intermediate in pharmaceutical synthesis and fine chemical manufacturing, where the combination of aromatic stability and isocyanate reactivity provides unique synthetic opportunities. OYSI provides 2-isocyanatoethylbenzene to European industrial customers requiring high-quality aromatic isocyanate intermediates for their specialized chemical processes.

Safety & Classification

Danger
Classification:

Acute Tox. 3 *; Acute Tox. 4 *; Skin Corr. 1A; Resp. Sens. 1; Skin Sens. 1; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H331

Toxic if inhaled.

H302

Harmful if swallowed.

H314

Causes severe skin burns and eye damage.

H334

May cause allergy or asthma symptoms or breathing difficulties if inhaled.

H317

May cause an allergic skin reaction.

H411

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

Toxic

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

Harmful

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:

Eye Contact

Harmful

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:

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 Number2922
ADR Class8
Packing GroupI
Tunnel CodeC/D
Proper Shipping Name2-Phenylethylisocyanat
Marine PollutantNo

Frequently Asked Questions

What is 2-isocyanatoethylbenzene?

2-isocyanatoethylbenzene is an organic chemical compound with the molecular formula C9H9NO and CAS number 1943-82-4. This aromatic isocyanate features a benzene ring connected to an ethyl chain terminated by an isocyanate functional group (-NCO). With a molecular weight of 147.17 g/mol, it belongs to the isocyanate family of compounds, which are highly reactive chemicals commonly used in polymer synthesis and industrial applications.

What are the physicochemical properties of 2-isocyanatoethylbenzene?

2-isocyanatoethylbenzene is typically a liquid at room temperature with characteristic properties of aromatic isocyanates. The compound contains a reactive isocyanate group that makes it highly susceptible to hydrolysis in the presence of moisture, forming corresponding amines and carbon dioxide. Like most isocyanates, it likely has a sharp, pungent odor and should be handled under anhydrous conditions to prevent unwanted reactions with atmospheric moisture.

What is 2-isocyanatoethylbenzene used for?

2-isocyanatoethylbenzene serves as a building block in polymer chemistry and organic synthesis applications. The reactive isocyanate group makes it suitable for producing polyurethanes, coatings, adhesives, and specialty polymers. It can be used in research and development for creating modified polyurethane materials with specific properties, or as an intermediate in the synthesis of pharmaceuticals and agrochemicals where the aromatic ethyl isocyanate structure is required.

How to handle 2-isocyanatoethylbenzene safely?

2-isocyanatoethylbenzene requires strict safety protocols due to its corrosive and sensitizing properties. Essential PPE includes chemical-resistant gloves, safety goggles, face shield, and respiratory protection to prevent inhalation exposure. Work must be conducted in well-ventilated areas or under fume hoods. Avoid skin and eye contact completely, as the compound is classified as Skin Corr. 1A and can cause severe burns. Emergency eyewash stations and safety showers should be readily accessible.

How to store 2-isocyanatoethylbenzene correctly?

2-isocyanatoethylbenzene must be stored in tightly sealed, moisture-proof containers in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Keep away from water, alcohols, amines, and strong bases which react vigorously with isocyanates. Storage areas should be equipped with appropriate spill containment and fire suppression systems. The container should be clearly labeled with hazard warnings and stored in secondary containment to prevent environmental release.

What to do in case of contact with 2-isocyanatoethylbenzene?

Immediate decontamination is critical due to the corrosive nature of 2-isocyanatoethylbenzene. For skin contact, immediately remove contaminated clothing and flush affected area with copious amounts of water for at least 15 minutes. For eye contact, rinse immediately with water for at least 15 minutes and remove contact lenses if present. If inhaled, move person to fresh air immediately. Seek immediate medical attention in all cases of exposure, as delayed effects may occur.

How to dispose of 2-isocyanatoethylbenzene appropriately?

2-isocyanatoethylbenzene disposal must comply with local and international hazardous waste regulations due to its corrosive and sensitizing properties. The compound cannot be disposed of in regular waste streams and requires specialized hazardous waste treatment. Contact licensed hazardous waste disposal companies for proper treatment, which typically involves controlled incineration at high temperatures. All containers must be properly labeled and manifested according to regulatory requirements before disposal.

How to transport 2-isocyanatoethylbenzene?

2-isocyanatoethylbenzene is classified as ADR Class 8 (corrosive substances), Packing Group I, indicating high danger level for transportation. Transport requires UN-approved packaging designed for corrosive materials, proper hazard labeling with corrosive placards, and appropriate shipping documentation. Drivers must have ADR certification for dangerous goods transport. The shipment must comply with quantity limitations and routing restrictions established by transportation authorities for Class 8 dangerous goods.

Is 2-isocyanatoethylbenzene subject to specific regulations?

2-isocyanatoethylbenzene falls under multiple regulatory frameworks including REACH registration requirements for substances manufactured or imported above one tonne per year in the EU. The compound must be classified and labeled according to CLP regulation with appropriate hazard statements and safety precautions. While not currently listed as SVHC, its respiratory and skin sensitizing properties may subject it to workplace exposure limits and specialized handling requirements in industrial settings.

Where to buy 2-isocyanatoethylbenzene in Europe?

2-isocyanatoethylbenzene is available through OYSI, a specialized European distributor of technical chemicals serving industrial customers across Europe. As a professional chemical supplier, OYSI provides proper documentation, safety data sheets, and regulatory compliance support for this controlled substance. Due to the hazardous nature and regulatory requirements of this compound, procurement is typically limited to qualified industrial users with appropriate handling capabilities and safety infrastructure.

Data Sources

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