3,4-Dichlorophenylacetonitrile
3,4-Dichlorophenylacetonitrile (CAS 3218-49-3) is an organic compound with the linear formula Cl2C6H3CH2CN and a molecular weight of 186.04 g/mol. This chemical serves as a valuable building block in organic synthesis, particularly in the development of pharmaceutical intermediates. It is frequently employed in the research and creation of novel compounds targeting specific biological receptors.
- IUPAC
- 3,4-Dichlorobenzyl cyanide
- Synonyms
- 3,4-Dichlorobenzyl cyanide
Synthesis of Neurokinin Receptor Antagonists
This compound has been utilised in the synthesis of SR 48968, a selective non-peptide antagonist for the neurokinin A (NK2) receptor. It also played a role in developing the tachykinin NK3 receptor antagonist SR 142801.
Precursor for Tachykinin Receptor Antagonists
3,4-Dichlorophenylacetonitrile was used in the synthesis of MDL 105,212, a non-peptide antagonist designed to target tachykinin receptors.
Organic Synthesis Building Block
As a key intermediate, this compound is valuable for constructing more complex organic molecules in various chemical research and development programs.
| Molecular weight | 186.04 |
|---|---|
| Linear formula | Cl2C6H3CH2CN |
| Assay | 98% |
| Boiling point | 170 °C/12 mmHg(lit.) |
| Application | 3,4-Dichlorophenylacetonitrile was used in the synthesis of:• SR 48968, a potent, competitive and selective non-peptide antagonist of the neurokinin A (NK2) receptor1• tachykinin NK3 receptor antagonist SR 142801, (R)-N-[ 1-[3-[ 1-benzoyl-3-(3,4-dichlororphenyl)-3-piperidinyl]propyyl]-4-phenyl-4-piperidinyl-N-methyl acetamide2• MDL 105,212, a non-peptide tachykinin receptor antagonist3 |
| Melting point | 39-42 °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 | dust mask type N95 (US), Eyeshields, Gloves |
|---|---|
| Flash point | 113 °C / 235.4 °F |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | Xn |
| Risk statements (R) | 20/21/22-36/37/38 |
| Safety statements (S) | 26-37/39 |
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 3,4-Dichlorophenylacetonitrile primarily used for?
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3,4-Dichlorophenylacetonitrile is primarily used as a building block in organic synthesis, notably for the creation of pharmaceutical intermediates and compounds like neurokinin receptor antagonists.
What is the CAS number and molecular formula for 3,4-Dichlorophenylacetonitrile?
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The CAS number is 3218-49-3, and the linear molecular formula is Cl2C6H3CH2CN.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies 3,4-Dichlorophenylacetonitrile with a purity of 98%. This product is not represented as USP, BP, or EP grade.
How should 3,4-Dichlorophenylacetonitrile be handled safely?
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Handling requires appropriate personal protective equipment, including a dust mask type N95 (US), eyeshields, and gloves. It is classified as harmful if swallowed, in contact with skin, or if inhaled, and causes skin and eye irritation, as well as respiratory irritation. Consult the Safety Data Sheet (SDS) for full details.
Is 3,4-Dichlorophenylacetonitrile a controlled substance?
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The provided data does not indicate that 3,4-Dichlorophenylacetonitrile is a scheduled or controlled substance.
How is 3,4-Dichlorophenylacetonitrile packed, shipped, and exported?
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Tech Serve Solutions ensures secure and compliant packing for the safe domestic and international shipment and export of chemicals, adhering to all relevant regulations.
How can I request a sample or quote for 3,4-Dichlorophenylacetonitrile?
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To request a sample or obtain a quote, please contact our sales department through the website or by phone, providing your details and the product CAS number (3218-49-3).
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