1. Product Overview
p-Nitrophenylacetonitrile (CAS 555-21-5), also known as 4-nitrophenylacetonitrile or 4-nitrobenzyl cyanide, is a high-purity organic nitrile compound with the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. This light yellow to off-white crystalline powder is a key building block in the synthesis of numerous pharmaceuticals, agrochemicals, dyes, and specialty chemicals. Its unique structure combines a reactive nitrile group with a nitro‑substituted aromatic ring, enabling a wide range of chemical transformations including reduction, hydrolysis, and nucleophilic substitution.
Xinchem Corporation supplies p-nitrophenylacetonitrile in purities ≥98.0% (HPLC), with custom specifications up to 99.5% available. Our ISO 9001‑certified facilities and two manufacturing bases in China (Panjin, Liaoning and Yuncheng, Shanxi) support flexible production from grams to metric tons, backed by over 15 years of experience in custom synthesis and contract manufacturing.
2. Chemical & Physical Properties
- Appearance: Light yellow to off-white crystalline powder
- Melting point: 114–116 °C (lit.)
- Boiling point: 195–197 °C at 12 mmHg
- Density: ~1.3 g/cm³ (estimated)
- Solubility: Soluble in ethanol, acetone, chloroform, DMF; practically insoluble in water
- Log P (octanol/water): 1.54 (estimated)
- Stability: Stable under normal storage conditions; avoid strong oxidizing agents, acids, and bases
- Storage: Sealed in a dry, cool, dark place; room temperature recommended
3. Key Applications
p-Nitrophenylacetonitrile is a versatile intermediate valued for its ability to undergo selective transformations, making it indispensable in multiple industries.
3.1 Pharmaceutical Intermediates
p-Nitrophenylacetonitrile serves as a crucial pharmaceutical intermediate in the synthesis of several active pharmaceutical ingredients (APIs). It is a key starting material for the preparation of antihypertensive drugs such as atenolol and other beta‑blockers. Additionally, it is used in the synthesis of CNS drugs, including certain sedatives and anticonvulsants, as well as anticancer agents. The nitrile group can be reduced to the corresponding primary amine, which is then further functionalized to produce various drug candidates.
3.2 Agrochemical Synthesis
In the agrochemical industry, p-nitrophenylacetonitrile is used as a building block for the production of herbicides, fungicides, and plant growth regulators. Its nitrile and nitro groups allow for versatile derivatization, leading to compounds with selective biological activity. The compound is particularly valuable in the synthesis of diphenyl ether herbicides and certain triazole fungicides.
3.3 Dye & Pigment Industry
The nitro group in p-nitrophenylacetonitrile can be reduced to an amino group, which then serves as a diazonium component for azo dye synthesis. Thus, this compound is an important intermediate for producing azo dyes, disperse dyes, and pigments. Its derivatives are used in textile, printing ink, and plastic coloration.
3.4 Organic Synthesis Building Block
As an organic synthesis building block, p-nitrophenylacetonitrile is widely used in academic and industrial research. It participates in Knoevenagel condensations, Michael additions, and heterocyclic ring formations (e.g., pyridines, pyrimidines, and quinazolines). The nitrile group can also be transformed into carboxylic acids, amides, and tetrazoles, expanding its utility.
For related products, explore Xinchem’s product lines: aromatic & heterocyclic derivatives, linear chain derivatives, and pigment & dye.
4. Why Choose Xinchem for p-Nitrophenylacetonitrile?
Xinchem Corporation is a trusted partner for custom synthesis and contract manufacturing of fine chemicals. Here’s why leading companies choose us:
- High Purity Guarantee: Standard product ≥98.0% (HPLC), with custom purification up to 99.5%.
- Flexible Production Scales: From grams for R&D to metric tons for industrial production, with seamless scale‑up.
- ISO 9001 Quality System: Batch‑specific Certificate of Analysis (COA), full traceability, and stability data.
- Competitive Global Pricing: Direct manufacturing and efficient supply chain deliver cost advantages.
- Custom Synthesis Expertise: Our technical team offers tailored solutions for derivatives, custom packaging, and process optimization.
- Two Manufacturing Bases: Facilities in Panjin (Liaoning) and Yuncheng (Shanxi) ensure supply security and rapid response.
For more information about our capabilities, visit our technology page or read the latest news. You can also explore our other product categories: amino acid derivatives, various additives, and linear chain derivatives.
5. Specifications & Packaging
| Parameter | Specification |
|---|---|
| Product Name | p-Nitrophenylacetonitrile (CAS 555-21-5) |
| Synonyms | 4-Nitrophenylacetonitrile, 4-Nitrobenzyl cyanide |
| Assay (HPLC) | ≥98.0% (customizable to 99.5%) |
| Melting Point | 114–116 °C |
| Loss on Drying | ≤0.5% |
| Residue on Ignition | ≤0.2% |
| Packaging | 25 kg fiber drums, 50 kg drums, 200 kg steel drums; custom sizes available |
| Storage | Sealed in dry, cool (<15°C), dark place; away from oxidizing agents |
For large-volume inquiries or custom packaging, please contact our sales team.
6. FAQ
Q1: What are the main synonyms for p-nitrophenylacetonitrile?
A: Common synonyms include 4-nitrophenylacetonitrile, 4-nitrobenzyl cyanide, (4-nitrophenyl)acetonitrile, and 2-(4-nitrophenyl)acetonitrile.
Q2: Is p-nitrophenylacetonitrile available in research quantities?
A: Yes. Xinchem offers flexible production from grams to kilograms, supporting both R&D and industrial-scale requirements. Please contact us for your specific quantity needs.
Q3: What purity grades are available?
A: Our standard product meets ≥98.0% assay by HPLC. Higher purity (≥99.0% or ≥99.5%) and custom specifications are available upon request.
Q4: What are the typical applications of this compound?
A: It is widely used as a pharmaceutical intermediate (e.g., atenolol), agrochemical building block, dye intermediate, and versatile organic synthesis building block for heterocyclic compounds.
Q5: What is the recommended storage condition?
A: Store sealed in a dry, cool (<15°C), dark place, away from strong oxidizing agents, acids, and bases. The compound is stable under these conditions for at least two years.
Q6: Does Xinchem offer custom synthesis of derivatives based on p-nitrophenylacetonitrile?
A: Yes. Our R&D team can perform custom synthesis of various derivatives, including reduction products, carboxylic acids, amides, and heterocyclic analogs.
Call to Action
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Post time: Apr-09-2026