3-Acetylphenyl isocyanate
3-Acetylphenyl isocyanate (CAS 23138-64-9), with the molecular formula CH3COC6H4NCO and a molecular weight of 161.16 g/mol, is a valuable organic building block. This compound serves as a reactive intermediate in various chemical synthesis pathways. Its isocyanate functionality readily participates in addition reactions, making it a useful precursor for the development of novel molecules in research and industrial applications.

Organic Synthesis Intermediate
3-Acetylphenyl isocyanate is primarily employed as a versatile building block in organic synthesis. Its reactive isocyanate group allows for the straightforward introduction of the 3-acetylphenyl moiety into larger molecular structures through reactions with nucleophiles.
Pharmaceutical Research
This compound can be utilised in the research and development of new pharmaceutical agents. The 3-acetylphenyl structure is found in various biologically active molecules, and this isocyanate offers a convenient route for its incorporation.
Materials Science
It may find application in the synthesis of specialised polymers and materials. The isocyanate group can react with compounds containing active hydrogen atoms to form urethane or urea linkages, contributing to polymer backbone formation.
| Molecular weight | 161.16 |
|---|---|
| Linear formula | CH3COC6H4NCO |
| Assay | 99% |
| Boiling point | 155 °C/4 mmHg(lit.) |
| Density | 1.174 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.563(lit.) |
| Melting point | 33-34 °C(lit.) |

Hazard statements
- H302Harmful if swallowed
- H312Harmful in contact with skin
- H315Causes skin irritation
- H319Causes serious eye irritation
- H332Harmful 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
| Protective equipment | Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter |
|---|---|
| Flash point | 113 °C / 235.4 °F |
| Transport (UN / ADR) | UN 3335 |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | Xn |
| Risk statements (R) | 20/21/22-36/37/38 |
| Safety statements (S) | 7-26-27-37/39 |
Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.
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.
What is 3-Acetylphenyl isocyanate used for?
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3-Acetylphenyl isocyanate is used as a building block in organic synthesis, particularly in pharmaceutical research and potentially in materials science due to its reactive isocyanate group.
What are the CAS number and chemical formula for 3-Acetylphenyl isocyanate?
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The CAS number is 23138-64-9 and the chemical formula is CH3COC6H4NCO.
What grade and purity does Tech Serve Solutions supply for 3-Acetylphenyl isocyanate?
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Tech Serve Solutions supplies 3-Acetylphenyl isocyanate with an assay of 99%. We do not represent this product as USP, BP, or EP grade.
What are the main hazards associated with 3-Acetylphenyl isocyanate?
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3-Acetylphenyl isocyanate is classified with GHS07 and a Warning signal word. It has hazard statements including H302 (Harmful if swallowed), H312 (Harmful in contact with skin), H315 (Causes skin irritation), H319 (Causes serious eye irritation), H332 (Harmful if inhaled), and H335 (May cause respiratory irritation).
How is 3-Acetylphenyl isocyanate packed, shipped, and exported?
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3-Acetylphenyl isocyanate is carefully packed according to international shipping regulations and is available for global export by Tech Serve Solutions.
How can I request a quote or sample of 3-Acetylphenyl isocyanate?
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To request a quote or a sample, please contact the Tech Serve Solutions sales team via our website or direct inquiry.
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