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3-Phenylpropyl isocyanate

CAS 68664-23-3C6H5(CH2)3NCOChemical Synthesis

3-Phenylpropyl isocyanate (CAS: 68664-23-3), with the molecular formula C6H5(CH2)3NCO and a molecular weight of 161.20 g/mol, is a versatile organic building block. This reactive compound is primarily utilized in chemical synthesis as a key intermediate. Its isocyanate functionality allows for a range of chemical transformations, making it valuable in the development of more complex organic molecules for research and industrial applications.

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3-Phenylpropyl isocyanate (C6H5(CH2)3NCO) — chemical structure, CAS 68664-23-3; Chemistry, fine chemical supplied by Tech Serve Solutions
Building BlocksChemical SynthesisIsocyanatesNitrogen CompoundsOrganic Building Blocks
01 /Applications

Organic Synthesis Intermediate

3-Phenylpropyl isocyanate serves as a crucial building block in organic synthesis. Its reactive isocyanate group readily participates in reactions such as nucleophilic additions, enabling the formation of ureas, carbamates, and other nitrogen-containing compounds.

Research and Development

This compound is employed in research laboratories for the exploration of new chemical pathways and the synthesis of novel materials. Its specific structure allows for targeted modifications in the development of speciality chemicals and advanced intermediates.

Development of Pharmaceutical Intermediates

The isocyanate moiety in 3-Phenylpropyl isocyanate can be functionalised to create precursors for pharmacologically active molecules. It aids in the construction of diverse molecular scaffolds relevant to drug discovery and development.

02 /Properties
Molecular weight161.20
Linear formulaC6H5(CH2)3NCO
Assay97%
Boiling point238-239 °C(lit.)
Density1.041 g/mL at 25 °C(lit.)
Refractive indexn20/D 1.5160(lit.)
03 /Safety & handling
GHS hazard pictogram: Harmful / irritant (GHS07)
Harmful / irritant
GHS hazard pictogram: Health hazard (GHS08)
Health hazard
Danger

Hazard statements

  • H302Harmful if swallowed
  • H312Harmful in contact with skin
  • H315Causes skin irritation
  • H319Causes serious eye irritation
  • H332Harmful if inhaled
  • H334May cause allergy or asthma symptoms if inhaled
  • H335May cause respiratory irritation

Precautionary statements

  • P261Avoid breathing dust, fume, gas or vapours
  • P280Wear protective gloves, clothing and eye/face protection
  • P305IF IN EYES
  • P342
Protective equipmentEyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Water hazard class (WGK, DE)3
Hazard codes (EU)Xn
Risk statements (R)20/21/22-36/37/38-42
Safety statements (S)23-26-36

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

04 /Identifiers & registry
CAS number
68664-23-3
MDL number
MFCD04039909
PubChem substance
24874755
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 3-Phenylpropyl isocyanate used for?

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3-Phenylpropyl isocyanate is primarily used as a building block in organic synthesis and for research and development purposes. It is a reactive intermediate employed in the creation of more complex organic molecules, including potential pharmaceutical intermediates.

What is the CAS number and chemical formula for 3-Phenylpropyl isocyanate?

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The CAS number for 3-Phenylpropyl isocyanate is 68664-23-3, and its linear chemical formula is C6H5(CH2)3NCO.

What grade and purity does Tech Serve Solutions supply for 3-Phenylpropyl isocyanate?

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Tech Serve Solutions supplies 3-Phenylpropyl isocyanate with a minimum purity of 97%. This is a technical/research grade, and TSS does not represent it as USP, BP, or EP grade.

What are the main safety concerns when handling 3-Phenylpropyl isocyanate?

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3-Phenylpropyl isocyanate is a Danger substance. It is harmful if swallowed, in contact with skin, or if inhaled, and causes skin and serious eye irritation. It may also cause respiratory irritation and respiratory sensitisation. Appropriate personal protective equipment, including eyeshields, gloves, and a full-face respirator, must be used. Always consult the Safety Data Sheet before handling.

How is 3-Phenylpropyl isocyanate packed and shipped by TSS?

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Tech Serve Solutions carefully packs and prepares 3-Phenylpropyl isocyanate for safe transport. As a global supplier and exporter, TSS adheres to international shipping regulations for hazardous materials. Contact us for specific export and shipping details.

How can I request a quote or sample for 3-Phenylpropyl isocyanate?

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To request a quote or a sample of 3-Phenylpropyl isocyanate, please visit the product page on the Tech Serve Solutions website and use the designated inquiry form, or contact our sales department directly.

Need 3-Phenylpropyl isocyanate in a specific grade or volume?