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4-Isocyanatobenzyl cyanide

CAS 59513-89-2OCNC6H4CH2CNChemical Synthesis

4-Isocyanatobenzyl cyanide (CAS 59513-89-2) is an organic compound with the linear formula OCN C<sub>6</sub>H<sub>4</sub>CH<sub>2</sub>CN and a molecular weight of 158.16 g/mol. This reactive molecule serves as a valuable building block in chemical synthesis. It is primarily utilised in organic synthesis and the preparation of nitrogen-containing compounds, making it a key intermediate for various research and development applications.

IUPAC
2-(4-isocyanatophenyl)acetonitrile
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4-Isocyanatobenzyl cyanide (OCNC6H4CH2CN) — chemical structure, CAS 59513-89-2; Chemistry, fine chemical supplied by Tech Serve Solutions
Building BlocksChemical SynthesisIsocyanatesNitrogen CompoundsOrganic Building Blocks
01 /Applications

Organic Synthesis

4-Isocyanatobenzyl cyanide is employed as a versatile reagent in organic synthesis for introducing specific functional groups into molecules. Its isocyanate and nitrile functionalities allow for diverse chemical transformations.

Pharmaceutical Intermediates

This compound can act as a precursor in the synthesis of complex organic molecules, potentially serving as an intermediate in the development of pharmaceutical agents. Its structure allows for further elaboration into various biologically relevant scaffolds.

Materials Science Research

The reactivity of the isocyanate group makes 4-Isocyanatobenzyl cyanide a candidate for research in polymer chemistry and materials science, where it could be used in the development of novel functional materials.

02 /Properties
Molecular weight158.16
Linear formulaOCNC6H4CH2CN
Assay97%
Melting point38-42 °C(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 equipmentdust mask type N95 (US), Eyeshields, Faceshields, Gloves
Transport (UN / ADR)UN 3335
Water hazard class (WGK, DE)2
Hazard codes (EU)Xn
Risk statements (R)20/21/22-36/37/38-42
Safety statements (S)23-26-36/37-45

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

04 /Identifiers & registry
CAS number
59513-89-2
MDL number
MFCD03701598
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 4-Isocyanatobenzyl cyanide used for?

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4-Isocyanatobenzyl cyanide is primarily used as a building block in organic synthesis and for the preparation of nitrogen compounds. It finds application in chemical synthesis and materials science research.

What is the CAS number and formula for 4-Isocyanatobenzyl cyanide?

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The CAS number is 59513-89-2 and the linear formula is OCN C<sub>6</sub>H<sub>4</sub>CH<sub>2</sub>CN.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies 4-Isocyanatobenzyl cyanide with an assay of 97%. We do not represent this product as USP, BP, EP, or any other pharmacopoeia grade.

How should 4-Isocyanatobenzyl cyanide be handled safely?

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4-Isocyanatobenzyl cyanide is classified as Danger. Hazards include H302, H312, H315, H319, H332, H334, and H335. Appropriate personal protective equipment, including a dust mask type N95 (US), eyeshields, faceshields, and gloves, must be worn. Handle only in a well-ventilated area.

Is 4-Isocyanatobenzyl cyanide shipped internationally?

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Yes, Tech Serve Solutions is a specialist global supplier and exporter of fine chemicals, including 4-Isocyanatobenzyl cyanide.

How can I request a quote or sample?

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To request a quote or sample of 4-Isocyanatobenzyl cyanide, please contact our sales team via the website or direct email, providing your specific requirements.

Need 4-Isocyanatobenzyl cyanide in a specific grade or volume?