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4-Nitrophenyl isocyanate

CAS 100-28-7O2NC6H4NCOChemical Synthesis

4-Nitrophenyl isocyanate (CAS: 100-28-7, Formula: O2NC6H4NCO) is a reactive organic compound with a molecular weight of 164.12. It serves as a valuable building block in organic synthesis. This isocyanate is primarily utilised in the creation of more complex molecules, particularly within chemical research and development settings. Its specific applications involve its use as a reagent in the formation of various organic structures, contributing to advancements in chemical synthesis.

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4-Nitrophenyl isocyanate (O2NC6H4NCO) — chemical structure, CAS 100-28-7; Chemistry, fine chemical supplied by Tech Serve Solutions
Building BlocksChemical SynthesisIsocyanatesNitrogen CompoundsOrganic Building Blocks
01 /Applications

Synthesis of Heterocyclic Compounds

4-Nitrophenyl isocyanate is employed as a key reagent in the synthesis of complex organic molecules. For instance, it has been utilised in the preparation of 2-(5-methyl-3,4-diphenyl-1H-pyrrole-2-carbonyl)-N-(4-nitrophenyl)hydrazinecarboxamide.

Organic Building Block

As a versatile organic building block, this compound facilitates the construction of diverse molecular frameworks. Its reactive isocyanate group readily participates in addition reactions, making it useful for introducing specific functional groups into target molecules.

Chemical Synthesis Reagent

The compound is valuable in various chemical synthesis pathways. Researchers utilise it to explore new reactions and develop novel compounds with potential applications in materials science and medicinal chemistry.

02 /Properties
Molecular weight164.12
Linear formulaO2NC6H4NCO
Assay97%
Boiling point137-138 °C/11 mmHg(lit.)
Storage temperature2-8°C
Application4-Nitrophenyl isocyanate was used in the synthesis of 2-(5-methyl-3,4-diphenyl-1H-pyrrole-2-carbonyl)-N-(4-nitrophenyl)hydrazinecarboxamide1.
Melting point56-59 °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
  • H315Causes skin irritation
  • H319Causes serious eye irritation
  • H334May cause allergy or asthma symptoms if inhaled
  • H335May cause respiratory irritation

Precautionary statements

  • P261Avoid breathing dust, fume, gas or vapours
  • P305IF IN EYES
  • P342
Protective equipmentdust mask type N95 (US), Eyeshields, Faceshields, Gloves
Transport (UN / ADR)UN 3335
Water hazard class (WGK, DE)3
Hazard codes (EU)Xn
Risk statements (R)20/21/22-36/37/38-42
Safety statements (S)22-26-36/37/39-45

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

04 /Identifiers & registry
CAS number
100-28-7
MDL number
MFCD00007306
PubChem substance
24856327
Beilstein registry
389516
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-Nitrophenyl isocyanate used for?

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4-Nitrophenyl isocyanate is used as a building block in organic synthesis, particularly in the creation of complex molecules and heterocyclic compounds. It serves as a valuable reagent in chemical synthesis.

What are the CAS number and formula for 4-Nitrophenyl isocyanate?

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The CAS number for 4-Nitrophenyl isocyanate is 100-28-7, and its chemical formula is O2NC6H4NCO.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies 4-Nitrophenyl isocyanate with an assay of 97%. This product is supplied for research and laboratory use and is not represented as USP, BP, or EP grade.

How should 4-Nitrophenyl isocyanate be handled safely?

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Handling 4-Nitrophenyl isocyanate requires appropriate personal protective equipment, including a P261-rated dust mask type N95 (US), eyeshields, faceshields, and gloves. It is harmful if swallowed or inhaled, causes skin irritation, eye irritation, and may cause respiratory irritation and allergy or asthma symptoms or breathing difficulties if inhaled (H302 + H332-H315-H319-H334-H335).

How is 4-Nitrophenyl isocyanate packaged and exported?

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4-Nitrophenyl isocyanate is typically packaged securely for safe transport and is exported globally by Tech Serve Solutions, adhering to all relevant shipping regulations for hazardous materials.

How can I request a quote or sample for 4-Nitrophenyl isocyanate?

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To request a quote or a sample of 4-Nitrophenyl isocyanate, please contact our sales team through the website or by phone. We will be pleased to assist you with your requirements.

Need 4-Nitrophenyl isocyanate in a specific grade or volume?