1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene

C15H10N2O2

CAS101-68-8
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
Danger

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Identification

CAS Number
101-68-8
EC Number
202-966-0
UN Number
Index Number
615-005-00-9
PubChem CID
7570

Physical-chemical properties

Molecular Formula
C15H10N2O2
Molar Mass
250.25 g/mol
IUPAC Name
1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene

Chemical Identifiers

InChI
InChI=1S/C15H10N2O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19/h1-8H,9H2
InChI Key
UPMLOUAZCHDJJD-UHFFFAOYSA-N

Overview

1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene (CAS 101-68-8) is a diisocyanate compound with high reactivity toward hydroxyl and amine groups, classified as carcinogenic and respiratory sensitizing. This aromatic diisocyanate, also known by its molecular formula C15H10N2O2, represents a critical building block in polymer chemistry with a molecular weight of 250.25 g/mol. The compound features two highly reactive isocyanate functional groups (-NCO) attached to benzene rings connected through a methylene bridge, making it particularly valuable for creating rigid polyurethane structures. Unlike simpler aromatic compounds such as ethylbenzene or styrene, this diisocyanate exhibits significantly higher reactivity due to its dual functional groups. The substance presents serious health and safety considerations, carrying a "Danger" signal word and displaying GHS08 and GHS07 pictograms. It is classified as a Category 2 carcinogen and Category 1 respiratory sensitizer, requiring stringent handling protocols including appropriate respiratory protection and skin contact prevention. The compound can cause skin and eye irritation, specific target organ toxicity, and poses acute toxicity risks. Storage and handling must occur in well-ventilated areas with proper containment systems. Primary industrial applications include the production of rigid polyurethane foams for insulation materials, particularly in construction and appliance manufacturing. The compound serves as a key component in adhesive formulations where strong, durable bonds are required. Additionally, it finds use in specialized coating applications where chemical resistance and mechanical strength are paramount. OYSI provides this technical-grade diisocyanate to qualified industrial customers across Europe, ensuring compliance with all relevant safety regulations and proper documentation for safe handling and application.

Safety & Classification

Danger
Classification:

Carc. 2; Acute Tox. 4 *; STOT SE 3; STOT RE 2 *; Skin Irrit. 2; Eye Irrit. 2; Resp. Sens. 1; Skin...

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H351

Suspected of causing cancer.

H332

Harmful if inhaled.

H335

May cause respiratory irritation.

H373

May cause damage to organs through prolonged or repeated exposure.

H315

Causes skin irritation.

H319

Causes serious eye irritation.

H334

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

H317

May cause an allergic skin reaction.

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:

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:

Eye Contact

Irritant

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:

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.

Frequently Asked Questions

What is 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene?

1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene is an aromatic diisocyanate compound with the molecular formula C15H10N2O2 and CAS number 101-68-8. This chemical has a molecular weight of 250.25 g/mol and contains two reactive isocyanate functional groups. It is classified as a hazardous substance with multiple health concerns including carcinogenic potential, respiratory sensitization, and acute toxicity. The compound is widely used in industrial applications for polymer synthesis and chemical manufacturing processes.

What are the physicochemical properties of 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene?

1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene is typically a solid or viscous liquid at room temperature with a characteristic sharp odor. The compound has limited solubility in water due to its aromatic structure but dissolves well in organic solvents. Its isocyanate groups make it highly reactive with compounds containing active hydrogen atoms, particularly water, alcohols, and amines. The substance may darken upon exposure to light and moisture due to polymerization reactions.

What is 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene used for?

1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene is primarily used as a building block in polyurethane synthesis and polymer chemistry. It serves as a cross-linking agent in the production of elastomers, coatings, adhesives, and rigid foams. The compound is also utilized in specialty chemical manufacturing, particularly in creating high-performance materials with enhanced mechanical properties. Industrial applications include automotive components, construction materials, and specialized coatings requiring durability and chemical resistance.

How to handle 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene safely?

1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene requires strict safety measures including respiratory protection with appropriate filters, chemical-resistant gloves, and protective clothing. Work must be conducted in well-ventilated areas or under fume hoods to prevent inhalation exposure. Eye protection is mandatory due to irritation potential. Avoid skin contact and ensure emergency shower facilities are available. Personnel should be trained in isocyanate handling procedures and health monitoring programs should be implemented for regular exposure situations.

How to store 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene correctly?

1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene must be stored in tightly sealed containers in a cool, dry environment away from moisture and heat sources. The storage area should be well-ventilated and separated from incompatible materials such as water, alcohols, amines, and strong bases. Containers should be protected from light and temperature fluctuations. Regular inspection for container integrity is essential as the compound can react with moisture to form solid deposits that may compromise container seals.

What to do in case of contact with 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene?

Immediate action is required for any contact with 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene. For skin contact, remove contaminated clothing and wash affected areas thoroughly with soap and water for at least 15 minutes. In case of eye contact, flush immediately with clean water for 15-20 minutes. If inhaled, move the person to fresh air immediately. Seek medical attention promptly for all exposure routes, especially respiratory exposure due to sensitization potential. Never induce vomiting if ingested.

How to dispose of 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene appropriately?

1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene must be disposed of as hazardous waste through authorized waste management companies. The substance cannot be discharged into sewers or waterways due to its toxic and reactive properties. Small quantities can be neutralized with appropriate alcohols under controlled conditions by trained personnel. All disposal activities must comply with local and national environmental regulations. Containers should be properly labeled and segregated from other waste streams before collection by licensed hazardous waste contractors.

How to transport 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene?

1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene transportation must comply with ADR/RID regulations for hazardous goods. The substance requires appropriate UN specification packaging designed for toxic chemicals, with proper labeling including hazard pictograms GHS07 and GHS08. Transport vehicles must carry emergency response information and appropriate spill control materials. Drivers need hazardous goods training certification. Temperature control may be necessary to prevent degradation during transport, and the substance should be segregated from incompatible materials.

Is 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene subject to specific regulations?

1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene is subject to comprehensive EU chemical regulations including REACH registration requirements and CLP classification obligations. The substance carries mandatory hazard classifications including Carcinogen Category 2, Respiratory Sensitizer Category 1, and multiple other hazard classes. While not currently listed as SVHC, it requires safety data sheets, worker health surveillance, and specialized handling procedures. Industrial users must implement risk management measures and may need authorization for certain uses under evolving regulatory frameworks.

Where to buy 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene in Europe?

1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene is available through OYSI, a specialized European distributor of technical chemicals with expertise in hazardous substances. OYSI provides comprehensive regulatory documentation, safety data sheets, and technical support for proper handling and application guidance. As a professional chemical distributor, OYSI ensures compliance with EU regulations including REACH registration and proper hazard classification. 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.