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Phenyl isocyanate

CAS 103-71-9C6H5NCOChemical Synthesis

Phenyl isocyanate (CAS: 103-71-9, Formula: C6H5NCO) is a reactive organic compound with a molecular weight of 119.12 g/mol. Characterised by its pungent odour, this clear, colourless to pale yellow liquid is a vital intermediate in organic synthesis. It is primarily utilised in the production of pharmaceuticals, agrochemicals, and polymers. Its high reactivity makes it a key building block for introducing the phenylcarbamoyl group into various molecular structures.

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Phenyl isocyanate (C6H5NCO) — chemical structure, CAS 103-71-9; Chemistry, fine chemical supplied by Tech Serve Solutions
Building BlocksChemical SynthesisIsocyanatesNitrogen CompoundsOrganic Building Blocks
01 /Applications

Pharmaceutical Synthesis

Phenyl isocyanate serves as a crucial reagent in the synthesis of various active pharmaceutical ingredients (APIs). It is used to create carbamate linkages, which are present in numerous drug molecules.

Agrochemical Production

This compound is employed in the manufacture of pesticides and herbicides. Its reactivity allows for the efficient synthesis of complex agrochemical structures, contributing to crop protection.

Polymer and Material Science

Phenyl isocyanate is a building block for specific types of polymers and resins. It can be used in the development of advanced materials requiring tailored properties.

Organic Synthesis Intermediate

As a versatile organic building block, it is extensively used in research and development for creating novel organic compounds and exploring new synthetic pathways.

02 /Properties
Molecular weight119.12
Linear formulaC6H5NCO
Assay≥98%
Boiling point162-163 °C(lit.)
Density1.096 g/mL at 25 °C(lit.)
Refractive indexn20/D 1.535(lit.)
Vapour pressure1.4 mmHg (20 °C)
Melting point−30 °C(lit.)
Storage temperature2-8°C
03 /Safety & handling
GHS hazard pictogram: Flammable (GHS02)
Flammable
GHS hazard pictogram: Corrosive (GHS05)
Corrosive
GHS hazard pictogram: Toxic (GHS06)
Toxic
GHS hazard pictogram: Health hazard (GHS08)
Health hazard
Danger

Hazard statements

  • H226Flammable liquid and vapour
  • H302Harmful if swallowed
  • H314Causes severe skin burns and eye damage
  • H317May cause an allergic skin reaction
  • H330Fatal if inhaled
  • H334May cause allergy or asthma symptoms if inhaled

Precautionary statements

  • P260Do not breathe dust, fume, gas, mist, vapours or spray
  • P280Wear protective gloves, clothing and eye/face protection
  • P284Wear respiratory protection
  • P305IF IN EYES
  • P310Immediately call a POISON CENTER or doctor
Protective equipmentFaceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Flash point51 °C / 123.8 °F
Transport (UN / ADR)UN 2487 3(6.1) / PGI
Water hazard class (WGK, DE)2
Hazard codes (EU)T+
Risk statements (R)10-22-26-34-42-52
Safety statements (S)16-26-28-36/37/39-45

Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.

04 /Identifiers & registry
CAS number
103-71-9
MDL number
MFCD00001994
PubChem substance
24887345
Beilstein registry
471391
05 /Quality & supply

Documentation

Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.

Supply & logistics

Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.

06 /Frequently asked questions

What is Phenyl isocyanate used for?

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Phenyl isocyanate is primarily used as an intermediate in the synthesis of pharmaceuticals, agrochemicals, and polymers. It acts as a key building block in organic synthesis for introducing the phenylcarbamoyl group.

What are the CAS number and formula for Phenyl isocyanate?

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The CAS number for Phenyl isocyanate is 103-71-9, and its chemical formula is C6H5NCO.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies Phenyl isocyanate with an assay of ≥98%. We do not represent this product as USP, BP, EP, or other pharmacopoeia grades unless explicitly stated.

How should Phenyl isocyanate be handled safely?

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Phenyl isocyanate is a dangerous substance. It is flammable, corrosive, and toxic. Handle with extreme care, wearing appropriate personal protective equipment including a full-face respirator, chemical-resistant gloves, and goggles. Ensure adequate ventilation and avoid contact with skin, eyes, and inhalation. Refer to the Safety Data Sheet for detailed handling procedures.

Is Phenyl isocyanate regulated or a controlled substance?

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Phenyl isocyanate is not listed as a controlled substance in the provided data. However, its hazardous nature requires strict adherence to safety protocols during handling and transport.

How is Phenyl isocyanate packed and exported?

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Phenyl isocyanate is typically packed in compliance with international regulations for hazardous materials. Tech Serve Solutions exports this chemical globally, adhering to all necessary shipping and customs requirements.

How can I request a sample or quote for Phenyl isocyanate?

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To request a sample or quote for Phenyl isocyanate, please contact our sales team through the website or by phone, providing your specific requirements.

Need Phenyl isocyanate in a specific grade or volume?