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

C15H10N2O2

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

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

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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 highly reactive isocyanate functional groups used primarily in polyurethane production. This aromatic diisocyanate, also known by its molecular formula C15H10N2O2, represents a critical building block in the chemical industry with a molecular weight of 250.25 g/mol. The compound features two isocyanate groups (-NCO) attached to a diphenylmethane backbone, making it highly valuable for creating cross-linked polymer structures. Its reactive nature stems from the electrophilic carbon atoms in the isocyanate groups, which readily react with nucleophiles such as alcohols, amines, and water. Safety considerations are paramount when handling this substance, as it carries multiple hazard classifications including carcinogenicity (Category 2), acute toxicity, respiratory sensitization, and irritation properties. The compound requires careful handling protocols due to its potential health impacts, particularly respiratory effects. Storage and transportation must comply with strict safety guidelines, and proper personal protective equipment is essential during use. Industrial applications center primarily around polyurethane foam production, where it serves as a crucial cross-linking agent. The compound is extensively used in rigid foam manufacturing for insulation applications and flexible foam production for furniture and automotive industries. Unlike simpler compounds such as ethylbenzene or styrene which are used in different polymer systems, this diisocyanate specifically enables the formation of urethane linkages that provide unique mechanical properties. OYSI maintains reliable supply chains for this essential industrial chemical, ensuring consistent availability for European manufacturers requiring high-quality diisocyanate compounds for their polyurethane production processes.

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 organic chemical compound with the molecular formula C15H10N2O2 and CAS number 101-68-8. This diisocyanate compound has a molecular weight of 250.25 g/mol and belongs to the family of aromatic isocyanates. It is classified as a hazardous substance with multiple health risks including carcinogenic potential, respiratory sensitization, and organ toxicity, requiring careful handling in industrial applications.

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. As an aromatic diisocyanate, it has limited water solubility but dissolves readily in organic solvents. The compound is reactive due to its isocyanate functional groups, which readily react with compounds containing active hydrogen atoms such as water, alcohols, and amines, forming urethane or urea linkages.

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 production. It serves as a crosslinking agent in the manufacture of flexible and rigid foams, coatings, adhesives, and elastomers. The compound is also utilized in the production of specialty polymers and as an intermediate in organic synthesis. Its applications span across automotive, construction, furniture, and industrial coating industries where durable polymer materials are required.

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, chemical-resistant gloves, and eye protection due to its respiratory sensitization and irritant properties. Work must be conducted in well-ventilated areas or under fume extraction systems. Skin contact must be avoided as it causes irritation and sensitization. Personnel should be trained in isocyanate handling procedures and emergency response protocols before working with this substance.

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 place 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 made of compatible materials and properly labeled. Temperature control is essential to prevent decomposition and maintain product stability throughout the storage period.

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

Immediate action is required upon contact with 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene. For skin contact, remove contaminated clothing and wash thoroughly with soap and water. In case of eye contact, rinse immediately with plenty of water for at least 15 minutes. If inhaled, move to fresh air immediately. Seek medical attention promptly, especially for respiratory exposure due to sensitization risks. Never induce vomiting if ingested and contact poison control immediately.

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 licensed waste management companies. The substance cannot be disposed of in regular waste streams due to its toxic and potentially carcinogenic properties. Disposal must comply with local and EU waste regulations including proper classification, packaging, and documentation. Small quantities should be neutralized with appropriate agents before disposal, while larger amounts require specialized incineration at authorized facilities.

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

Transportation of 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene must comply with ADR dangerous goods regulations. The substance requires appropriate packaging, labeling with GHS07 and GHS08 pictograms, and proper shipping documentation. Vehicles must be equipped for hazardous material transport with emergency equipment and trained drivers. Temperature control during transport may be necessary to maintain product stability and prevent decomposition that could increase hazard levels.

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

1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene is subject to extensive EU regulations including REACH registration requirements and CLP classification as Category 2 carcinogen and respiratory sensitizer. It requires safety data sheets, exposure scenarios, and risk management measures. Workplace exposure limits apply, and occupational health surveillance may be mandatory. The substance is not currently listed as SVHC but faces ongoing regulatory scrutiny due to its hazardous properties and potential restrictions on certain uses.

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

1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene is available through OYSI, a trusted European distributor of specialty chemicals. OYSI provides this substance with full regulatory compliance including proper documentation, safety data sheets, and technical support. As a specialized chemical distributor, OYSI ensures product quality and regulatory compliance for industrial customers across Europe requiring this diisocyanate for polyurethane production and other applications.

Data Sources

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