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Allyl isocyanate

CAS 1476-23-9CH2=CHCH2NCOChemical Synthesis

Allyl isocyanate (CAS: 1476-23-9) is a reactive organic compound with the linear formula CH2=CHCH2NCO and a molecular weight of 83.09 g/mol. It is a versatile building block utilised in chemical synthesis. This clear, colourless to yellow liquid is primarily employed as an intermediate in the production of various organic compounds and pharmaceuticals, offering a reactive isocyanate group for diverse chemical transformations.

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Allyl isocyanate (CH2=CHCH2NCO) — chemical structure, CAS 1476-23-9; Chemistry, fine chemical supplied by Tech Serve Solutions
Building BlocksChemical SynthesisIsocyanatesNitrogen CompoundsOrganic Building Blocks
01 /Applications

Organic Synthesis Intermediate

Allyl isocyanate serves as a key intermediate in the synthesis of diverse organic molecules. Its isocyanate functionality readily participates in addition reactions with nucleophiles, enabling the formation of ureas, carbamates, and other nitrogen-containing functionalities.

Pharmaceutical Precursor

This compound is employed in the development and manufacturing of pharmaceutical intermediates and active pharmaceutical ingredients (APIs). Its unique structure allows for the introduction of specific chemical motifs crucial for drug discovery and development.

Agrochemical Synthesis

Allyl isocyanate can be utilised in the synthesis of agrochemicals. The incorporation of its structural elements can contribute to the development of compounds with desired pesticidal or herbicidal properties.

02 /Properties
Molecular weight83.09
Linear formulaCH2=CHCH2NCO
Assay98%
Boiling point87-89 °C(lit.)
Density0.94 g/mL at 25 °C(lit.)
Refractive indexn20/D 1.417(lit.)
Storage temperature2-8°C
03 /Safety & handling
GHS hazard pictogram: Flammable (GHS02)
Flammable
GHS hazard pictogram: Toxic (GHS06)
Toxic
GHS hazard pictogram: Health hazard (GHS08)
Health hazard
Danger

Hazard statements

  • H226Flammable liquid and vapour
  • H301Toxic if swallowed
  • H315Causes skin irritation
  • H317May cause an allergic skin reaction
  • H319Causes serious eye irritation
  • H334May cause allergy or asthma symptoms if inhaled

Precautionary statements

  • P261Avoid breathing dust, fume, gas or vapours
  • P280Wear protective gloves, clothing and eye/face protection
  • P301IF SWALLOWED
  • P305IF IN EYES
  • P311Call 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 point43 °C / 109.4 °F
Transport (UN / ADR)UN 3080 6.1/PG 2
Water hazard class (WGK, DE)3
Hazard codes (EU)T
Risk statements (R)10-23/24/25-34-42/43
Safety statements (S)23-26-36/37/39-45

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

04 /Identifiers & registry
CAS number
1476-23-9
MDL number
MFCD00002044
PubChem substance
24854606
Beilstein registry
506106
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 Allyl isocyanate used for?

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Allyl isocyanate is primarily used as a versatile building block and intermediate in organic synthesis, particularly in the pharmaceutical and agrochemical industries for creating more complex molecules.

What is the CAS number and formula for Allyl isocyanate?

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The CAS number for Allyl isocyanate is 1476-23-9 and its linear formula is CH2=CHCH2NCO.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies Allyl isocyanate with an assay of 98%. We do not represent this product as meeting USP, BP, or EP pharmacopoeial standards.

How should Allyl isocyanate be handled safely?

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Allyl isocyanate is a dangerous substance (Danger signal word). It is flammable (H226), toxic if swallowed, in contact with skin, and if inhaled (H301 + H311 + H331), causes skin irritation (H315), skin sensitisation (H317), serious eye irritation (H319), and may cause allergy or asthma symptoms or breathing difficulties if inhaled (H334). Handle with appropriate personal protective equipment, including faceshields, full-face respirators, gloves, and goggles, in a well-ventilated area.

How is Allyl isocyanate packed, shipped, and exported?

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Allyl isocyanate is packed in compliance with international regulations for hazardous materials. Tech Serve Solutions, as a specialist global supplier and exporter, ensures all shipments adhere to relevant transport and export requirements.

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

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To request a sample or quote for Allyl isocyanate, please contact our sales team through the website or by phone. Provide your specific requirements, and we will respond promptly.

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