Molekula
Trichloroacetonitrile
Supplying 4,500+ customers in over 80 countries
ISO 9001:2015 & ISO 14001:2015 certified · Supplying laboratories and industry since 2000 · Listed pack sizes are a starting point — we manufacture, source and repack to the quantity you need
Trichloroacetonitrile is a highly reactive organic compound used in synthetic chemistry, particularly in the production of pharmaceuticals and agrochemicals. It is a colorless to pale yellow liquid with a pungent odor. CAS: 545-06-2, Molecular Formula: Cl3CCN, Molecular Weight: 144.39 g/mol. Store at 2 to 8 °C. Hazardous: Signal word Danger. Molekula supplies Trichloroacetonitrile from research to bulk quantities with full documentation and ISO 9001:2015 traceability.
Example image for illustration only. Other packaging and pack sizes are available.
Pricing & pack sizes
These pack sizes aren't a limit. Molekula manufactures, sources and repacks to order — if you need 500 kg and only see 1 kg listed, . We quote from grams to multi-tonne.
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100 g — £34.20 per pack ex VAT · £41.04 inc. VAT
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Specifications
| Property | Value |
|---|---|
| Appearance | Colourless transparent liquid |
| Melting Point | -42 °C |
| Boiling Point | 83-84 °C |
| Water | ≤ 0.1% |
| Assay | ≥98.0% |
| Free acid | ≤ 0.3% |
| Trichloroacetamide | ≤0.3% |
Storage & handling
| Property | Value |
|---|---|
| Storage Temperature | 2 to 8 °C |
| Transport Class | 6.1 |
| Packing Group | III |
| Acidity | Neutral |
Literature values
Published physical properties of the substance, not batch specifications.
| Property | Value |
|---|---|
| Appearance | Liquid |
| Melting Point | -42 °C |
| Boiling Point | 85.7 °C |
| Water Solubility | Insoluble in water |
| Vapour Pressure | 74.1 mmHg at 25 °C |
| Refractive Index | 1.4409 |
| log P (octanol/water) | 2.09 |
Source: PubChem CID 11011 (HSDB)
Identification
| Property | Value |
|---|---|
| SKU | 16028956 |
| CAS Number | 545-06-2 |
| IUPAC Name | 2,2,2-trichloroacetonitrile |
| EC Number | 208-885-7 |
| Molecular Formula | Cl3CCN |
| Molecular Weight | 144.39 |
| Exact Mass | 142.9096 |
| SMILES | C(#N)C(Cl)(Cl)Cl |
| InChIKey | DRUIESSIVFYOMK-UHFFFAOYSA-N |
| InChI | InChI=1S/C2Cl3N/c3-2(4,5)1-6 |
| PubChem CID | 11011 |
| UN Number | UN3276 |
| REACH Code | Y110 |
| TSCA Listed | Yes |
| HTS Code | 29269050 |
| Tariff Code | 2926907090 |
Safety & GHS
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Toxic
GHS06
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Hazardous to the Environment
GHS09
Hazard statements
- H301 + H311 + H331 Toxic if swallowed, in contact with skin or if inhaled
- H411 Toxic to aquatic life with long lasting effects
Precautionary statements
- P260 Do not breathe dust/fume/gas/mist/vapours/spray
- P273 Avoid release to the environment
- P280 Wear protective gloves/protective clothing/eye protection/face protection
- P301+310 IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician
- P302+350 IF ON SKIN: Gently wash with soap and water
- P304+340 IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
- P308+313 IF exposed or concerned: Get medical advice/attention
Documents
Safety Data Sheets (SDS)
Available in English, French, German, Italian, Russian, Spanish.
Certificate of Analysis (CoA) by batch
Enter a lot or batch number to retrieve the CoA for that specific batch. We can generate one from spec data if no PDF is on file.
Synonyms
- 2,2,2-trichloroacetonitrile
- Acetonitrile, trichloro-
- Cyanotrichloromethane
- Nitrile trichloracetique
- Trichlormethylkyanid
- Trichloroethanenitrile
- Trichloromethyl cyanide
- Trichloromethylnitrile
- Trichlouracetonitril
- Tritox
Frequently asked questions
What is trichloroacetonitrile used for?
Trichloroacetonitrile is primarily used as a reagent in organic synthesis, particularly in the preparation of other nitriles and as a chlorinating agent.
What is the chemical formula and molecular weight of trichloroacetonitrile?
The formula is Cl3CCN and the molecular weight is 144.39 g/mol.
How should trichloroacetonitrile be stored?
It should be stored at 2 to 8 °C in a cool, dry place, protected from light and moisture.
What grade of trichloroacetonitrile does Molekula supply?
Molekula supplies trichloroacetonitrile in high-purity analytical grade.
Can Molekula supply trichloroacetonitrile in bulk?
Yes, Molekula can supply trichloroacetonitrile in bulk quantities—please contact our sales team for details.
What documentation comes with a purchase of trichloroacetonitrile?
Each order includes a Certificate of Analysis (CoA) and Safety Data Sheet (SDS) with the shipment.
Ready to order or need a custom pack?
Tell us the product, grade, and quantity — Molekula usually responds within one working day with pricing and lead time.