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

Consulting for 2-isocyanatoethylbenzene

Our experts support you with application, dosage, and compliance.

Request Consultation

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 with reactive electrophilic properties used in specialized chemical synthesis applications. This organic compound belongs to the isocyanate family, characterized by the presence of the highly reactive -NCO functional group attached to an ethylbenzene backbone. The molecular structure combines the stability of an aromatic benzene ring with the reactivity of an isocyanate group, making it a valuable intermediate in various chemical processes. With a molecular weight of 147.17 g/mol and formula C9H9NO, 2-isocyanatoethylbenzene exhibits the typical reactivity patterns associated with isocyanates, readily participating in nucleophilic addition reactions with compounds containing active hydrogen atoms. The compound presents significant safety considerations due to its classification under multiple hazard categories. It is classified as Acute Tox. 3 and 4, indicating moderate to high acute toxicity, while its Skin Corr. 1A classification denotes severe skin corrosive properties. Additionally, it acts as both a respiratory sensitizer (Resp. Sens. 1) and skin sensitizer (Skin Sens. 1), requiring careful handling protocols. The presence of GHS pictograms including skull and crossbones, corrosion, and health hazard symbols emphasizes the need for appropriate personal protective equipment and ventilation systems during use. Industrial applications of 2-isocyanatoethylbenzene primarily include its use as a chemical intermediate in polymer synthesis, particularly in the production of specialized polyurethanes and polyureas. It also serves as a building block in pharmaceutical synthesis and specialty chemical manufacturing. Unlike simpler compounds such as pentanedial, this aromatic isocyanate offers unique reactivity profiles for complex molecular architectures. OYSI provides reliable access to 2-isocyanatoethylbenzene for qualified industrial customers across Europe, ensuring proper regulatory compliance and technical support.

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 compound with the molecular formula C9H9NO and CAS number 1943-82-4. It belongs to the isocyanate family, characterized by the presence of the highly reactive -NCO functional group. With a molecular weight of 147.17 g/mol, this compound is classified as hazardous with multiple danger classifications including acute toxicity, skin corrosion, respiratory sensitization, and skin sensitization properties.

What are the physicochemical properties of 2-isocyanatoethylbenzene?

2-isocyanatoethylbenzene is typically a liquid at room temperature with characteristic properties common to aromatic isocyanates. Like other isocyanates, it likely has a sharp, pungent odor and is moisture-sensitive, reacting readily with water to form corresponding amines and carbon dioxide. The compound contains both aromatic benzene ring and reactive isocyanate group, making it highly reactive toward nucleophiles including alcohols, amines, and water.

What is 2-isocyanatoethylbenzene used for?

2-isocyanatoethylbenzene is primarily used as an intermediate in chemical synthesis and polymer production. Its reactive isocyanate group makes it valuable for manufacturing polyurethanes, coatings, adhesives, and specialty polymers. It serves as a building block for creating materials with specific properties in industrial applications. The compound may also be used in research and development for synthesizing novel compounds and materials requiring isocyanate functionality.

How to handle 2-isocyanatoethylbenzene safely?

2-isocyanatoethylbenzene requires strict safety measures due to its corrosive and sensitizing properties. Essential PPE includes chemical-resistant gloves, safety goggles, and respiratory protection to prevent inhalation. Work must be conducted in well-ventilated areas or under fume hoods. Avoid skin and eye contact completely, as the compound is highly corrosive. Personnel should be trained in isocyanate handling procedures and emergency response protocols before working with this material.

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 violently with isocyanates. Storage areas should be equipped with appropriate spill containment and emergency equipment. Containers should be properly labeled and stored according to local regulations for corrosive and toxic substances.

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

Immediate action is critical due to the compound's corrosive nature. For skin contact, immediately flush with copious amounts of water for at least 15 minutes while removing contaminated clothing. For eye contact, rinse immediately with clean water for at least 15 minutes. If inhaled, move to fresh air immediately. Seek immediate medical attention in all cases of exposure. Do not induce vomiting if ingested. Remove contaminated clothing and wash before reuse.

How to dispose of 2-isocyanatoethylbenzene appropriately?

2-isocyanatoethylbenzene must be disposed of as hazardous waste through licensed waste management facilities. Never dispose of down drains or into the environment due to its toxic and environmentally harmful properties. Small quantities can be carefully neutralized with appropriate reagents under controlled conditions by trained personnel. All disposal must comply with local, national, and EU waste regulations. Containers should be properly labeled and manifested for hazardous waste collection.

How to transport 2-isocyanatoethylbenzene?

2-isocyanatoethylbenzene is classified as ADR Class 8 (corrosive substances), Packing Group I, indicating high danger level during transport. It requires appropriate UN-specification packaging and proper hazard labeling including corrosive and toxic pictograms. Transportation must comply with ADR regulations for dangerous goods, including proper documentation, vehicle placarding, and driver training. Only authorized carriers with appropriate permits should handle the transport of this hazardous material.

Is 2-isocyanatoethylbenzene subject to specific regulations?

2-isocyanatoethylbenzene is subject to comprehensive EU chemical regulations including REACH registration requirements and CLP classification obligations. It must be classified with appropriate hazard pictograms (GHS06, GHS05, GHS08, GHS09) and danger signal word. Although not currently listed as SVHC, its multiple hazard classifications require strict compliance with occupational safety regulations, environmental protection laws, and proper risk assessment procedures for industrial use.

Where to buy 2-isocyanatoethylbenzene in Europe?

2-isocyanatoethylbenzene is available through OYSI, a specialized European distributor of technical chemicals. As an expert supplier of industrial chemicals, OYSI provides high-quality products with proper documentation, safety data sheets, and regulatory compliance support. Their European network ensures reliable supply and technical assistance for industrial customers requiring this specialized isocyanate compound for manufacturing and research applications.

Data Sources

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