Trichloroacetonitrile
Also known as: cyanotrichloromethane, trichloromethyl cyanide, trichloromethylcarbonitrile, 2,2,2-Trichloroacetonitrile, Trichlorocyanomethane, Tritox
Trichloroacetonitrile (CAS 545-06-2) is a compound in the Organohalogen Compounds category listed in the Jingsj chemical database. It has the molecular formula C2Cl3N and a molecular weight of 144.387 g/mol. Key properties include a melting point of -42 °C, a boiling point of 85.7±0.0 °C at 760 mmHg, a density of 1.6±0.1 g/cm3 and a flash point of 10.5±20.2 °C. It is classified under GHS with signal word Danger and hazard statements H301 — Toxic if swallowed, H311 — Toxic in contact with skin and H331 — Toxic if inhaled. No supplier offers are currently listed; request a quote. Record last updated Aug 21, 2026.
- CAS No.
- 545-06-2
- Jingsj CID
- J-19767-0
- Molecular Formula
- C2Cl3N
- Molecular Weight
- 144.387 g/mol
- Category
- Organohalogen Compounds
- Last updated
- 8/21/2026
No offers for this compound yet.
Request a quotePhysicochemical Properties
| Melting Point | -42 °C |
|---|---|
| Boiling Point | 85.7±0.0 °C at 760 mmHg |
| Density | 1.6±0.1 g/cm3 |
| Flash Point | 10.5±20.2 °C |
| Exact Mass | 142.909637 |
| PSA | 23.79000 |
| LogP | 2.54 |
| Vapor Pressure | 68.6±0.1 mmHg at 25°C |
| Refractive Index | 1.489 |
| Additional Property | <0.1 g/100 mL at 21.5°C | <0.1 g/100 mL at 21.5 ºC |
GHS Safety & Compliance
- H301 — Toxic if swallowed
- H311 — Toxic in contact with skin
- H331 — Toxic if inhaled
- H315 — Causes skin irritation
- H319 — Causes serious eye irritation
- H411 — Toxic to aquatic life with long lasting effects
Activity & Biological Data
| Additional Information | [1]. Fang Y, et al. Trichloroacetonitrile as an efficient activating agent for the ipso-hydroxylation of arylboronic acids to phenolic compounds. Org Biomol Chem. 2019;17(32):7558-7563. [2]. Smith MK, et al. Teratogenic effects of trichloroacetonitrile in the Long-Evans rat. Teratology. 1988;38(2):113-120. |
|---|
Customs & Trade Information
| HS Code | 2926909090 |
|---|---|
| Summary | HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
Frequently Asked Questions
What is the CAS number of Trichloroacetonitrile?
The CAS number of Trichloroacetonitrile is 545-06-2.
What are the molecular formula and molecular weight of Trichloroacetonitrile?
Trichloroacetonitrile has molecular formula C2Cl3N and molecular weight 144.387 g/mol.
Is Trichloroacetonitrile hazardous?
Trichloroacetonitrile has GHS signal word Danger and hazard statements H301 — Toxic if swallowed; H311 — Toxic in contact with skin; H331 — Toxic if inhaled.
What are the upstream and downstream products of Trichloroacetonitrile?
For Trichloroacetonitrile, Upstream Products: Acetonitrile, 2,2,2-Trichloroacetamide, Chloroacetonitrile; Downstream Products: Benzyloxyacetic acid ethyl ester, 2-Amino-6-methylbenzonitrile, (Cyanomethyl)(triphenyl)phosphonium chloride.
Data compiled from public chemical databases such as PubChem and supplier catalogs; supplier offers are provided by suppliers.
Last updated:
How to cite: Jingsj. "Trichloroacetonitrile (CAS 545-06-2)". Jingsj Chemical Database. https://www.jingsj.com/compound/J-19767-0 (accessed 2026-11-07).
Data for reference only; verify product details with suppliers before purchase.