Isocyanatobenzene
C7H5NO
isocyanatobenzene
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Identification
- CAS Number
- 103-71-9
- EC Number
- 203-137-6
- UN Number
- 2487
- PubChem CID
- 7672
Physical-chemical properties
- Molecular Formula
- C7H5NO
- Molar Mass
- 119.12 g/mol
- IUPAC Name
- isocyanatobenzene
Chemical Identifiers
- InChI
- InChI=1S/C7H5NO/c9-6-8-7-4-2-1-3-5-7/h1-5H
- InChI Key
- DGTNSSLYPYDJGL-UHFFFAOYSA-N
Overview
Isocyanatobenzene (CAS 103-71-9) is an aromatic isocyanate compound with reactive electrophilic properties and characteristic benzene ring structure. This organic chemical compound, also known by its IUPAC designation isocyanatobenzene, represents a fundamental building block in synthetic organic chemistry and industrial manufacturing processes. With the molecular formula C7H5NO and a molecular weight of 119.12 g/mol, this aromatic isocyanate features a benzene ring directly bonded to an isocyanate functional group (-NCO), which imparts distinctive reactivity characteristics essential for numerous chemical transformations. The compound's structure makes it particularly valuable in polymer chemistry and pharmaceutical intermediate synthesis. The isocyanate group exhibits high reactivity toward nucleophiles, especially compounds containing active hydrogen atoms such as alcohols, amines, and water. This reactivity profile distinguishes it from related aromatic compounds like 4-nitroaniline, which contains amino functionality instead of the highly electrophilic isocyanate group. Isocyanatobenzene finds primary applications in polyurethane production as a chain extender and crosslinking agent, pharmaceutical intermediate synthesis for active ingredient development, and specialty polymer manufacturing where controlled molecular weight distribution is critical. The compound's aromatic character provides thermal stability while the isocyanate functionality enables precise chemical modifications. Safety considerations include its ADR classification as Class 6.1, indicating potential toxicity requiring appropriate handling protocols and protective equipment during storage, transport, and processing operations. Proper ventilation and moisture exclusion are essential due to the isocyanate group's sensitivity to atmospheric water. OYSI maintains reliable supply chains for isocyanatobenzene to support European industrial customers requiring consistent quality and technical support for their manufacturing processes.
Safety & Classification
No Hazard Classification
This substance is not classified as hazardous according to CLP Regulation (EC) No 1272/2008.
Transport (ADR)
| UN Number | 2487 |
| ADR Class | 6.1 |
| Packing Group | I |
| Tunnel Code | C/D |
| Proper Shipping Name | Phenylisocyanat |
| Marine Pollutant | No |
Frequently Asked Questions
What is isocyanatobenzene?
Isocyanatobenzene is an organic chemical compound with the molecular formula C7H5NO and CAS number 103-71-9. It belongs to the isocyanate family, characterized by the presence of the -NCO functional group attached to a benzene ring. With a molecular weight of 119.12 g/mol, this aromatic isocyanate serves as an important intermediate in organic synthesis and industrial chemical processes.
What are the physicochemical properties of isocyanatobenzene?
Isocyanatobenzene is typically a colorless to pale yellow liquid at room temperature with a characteristic pungent odor. As an aromatic isocyanate, it exhibits moderate volatility and is generally soluble in organic solvents such as toluene, acetone, and ethyl acetate, while being reactive with water and alcohols due to its isocyanate functionality.
What is isocyanatobenzene used for?
Isocyanatobenzene is primarily used as a chemical intermediate in the synthesis of pharmaceuticals, agrochemicals, and specialty polymers. It serves as a building block for producing carbamates, ureas, and urethane derivatives. The compound is also utilized in research laboratories for organic synthesis reactions and as a reagent in the development of new chemical compounds and materials.
How to handle isocyanatobenzene safely?
Isocyanatobenzene requires careful handling with appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and respiratory protection. Work should be conducted in well-ventilated areas or under fume hoods to prevent inhalation exposure. Avoid contact with skin, eyes, and moisture, as isocyanates can cause irritation and sensitization. Use explosion-proof equipment when necessary.
How to store isocyanatobenzene correctly?
Isocyanatobenzene should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from moisture, heat sources, and incompatible materials. Keep away from water, alcohols, amines, and strong bases which can react with the isocyanate group. Storage containers should be made of compatible materials and properly labeled according to safety regulations.
What to do in case of contact with isocyanatobenzene?
In case of skin contact with isocyanatobenzene, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. For eye contact, rinse immediately with clean water for 15 minutes and seek medical attention. If inhaled, move to fresh air immediately. In case of ingestion, do not induce vomiting and seek immediate medical care.
How to dispose of isocyanatobenzene appropriately?
Isocyanatobenzene waste must be disposed of according to local and national hazardous waste regulations. The compound should never be poured down drains or disposed of with regular waste. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Small quantities may be neutralized with appropriate reagents before disposal, following established safety protocols and regulatory requirements.
How to transport isocyanatobenzene?
Isocyanatobenzene is classified under ADR Class 6.1 (Toxic substances), Packing Group I, indicating high toxicity during transport. It must be packaged in UN-approved containers with proper labeling and documentation. Transportation requires compliance with dangerous goods regulations, including appropriate vehicle marking, driver training, and emergency response procedures for toxic substances.
Is isocyanatobenzene subject to particular regulations?
Isocyanatobenzene is subject to standard chemical regulations including REACH registration requirements in Europe and CLP classification for hazard communication. While not currently listed as a Substance of Very High Concern (SVHC), it must comply with occupational safety standards and workplace exposure limits. Users should maintain safety data sheets and ensure proper worker training and protection measures.
Where to buy isocyanatobenzene in Europe?
Isocyanatobenzene is available through specialized chemical distributors across Europe, including OYSI, a reliable European distributor of technical chemicals. Professional suppliers ensure proper packaging, documentation, and regulatory compliance for industrial and research applications. Contact qualified distributors for availability, specifications, and delivery options that meet your specific requirements and local regulations.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.